Toll-like receptor modulator 2mg

CAT: 0628-A15264-2Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0628-A15264-2Size:2 mg

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CAS Number

926927-42-6

Chemical Information

Ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate

CAS Number	926927-42-6
PubChem CID	15953875
IUPAC Name	ethyl 2-amino-8-(1,1,2,2,2-pentafluoroethyl)-3H-1-benzazepine-4-carboxylate
Molecular Formula	C15H13F5N2O2
Molecular Weight	348.27
XLogP	2.7
Topological Polar Surface Area	64.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	557

SMILES

CCOC(=O)C1=CC2=C(C=C(C=C2)C(C(F)(F)F)(F)F)N=C(C1)N

InChI

InChI=1S/C15H13F5N2O2/c1-2-24-13(23)9-5-8-3-4-10(14(16,17)15(18,19)20)7-11(8)22-12(21)6-9/h3-5,7H,2,6H2,1H3,(H2,21,22)

InChIKey

ICZPANLPYRTVSF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 926927-42-6

CID: 15953875

Formula: C15H13F5N2O2

MW: 348.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	348.27
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	348.08971847
Monoisotopic Mass	348.08971847
Topological Polar Surface Area	64.7 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	557
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
A15264-200	Toll-like receptor modulator 200mg
A15264-10	Toll-like receptor modulator 10mg
A15264-50	Toll-like receptor modulator 50mg
A15094-2	GPR120 modulator 1 2mg
A15095-2	GPR120 modulator 2 2mg
A15090-2	Gamma-secretase modulator 3 2mg
A16291-2	ROR gamma modulator 1 2mg
A11425-2	Gamma-secretase modulator 1 2mg
A19536-2	RIG-1 modulator 1 2mg
A13094-2	Alpha-Amyloid Precursor Protein Modulator 2mg

Catalog	Name
HY-10018-01	Toll-like receptor modulator
MBS643956-01	SLA2 (Src-like-adapter 2, Src-like Adapter Protein 2, SLAP-2, Modulator of Antigen Receptor Signaling, MARS, C20orf156, SLAP2)
133388-APC	SLA2 (Src-like-adapter 2, Src-like Adapter Protein 2, SLAP-2, Modulator of Antigen Receptor Signaling, MARS, C20orf156, SLAP2) (APC)
MBS6394237-01	SLA2 (Src-like-adapter 2, Src-like Adapter Protein 2, SLAP-2, Modulator of Antigen Receptor Signaling, MARS, C20orf156, SLAP2) (FITC)
MBS6394234-01	SLA2 (Src-like-adapter 2, Src-like Adapter Protein 2, SLAP-2, Modulator of Antigen Receptor Signaling, MARS, C20orf156, SLAP2) (AP)
MBS6160287-01	SLA2 (Src-like-adapter 2, Src-like Adapter Protein 2, SLAP-2, Modulator of Antigen Receptor Signaling, MARS, C20orf156, SLAP2) (PE)
133388-HRP	SLA2 (Src-like-adapter 2, Src-like Adapter Protein 2, SLAP-2, Modulator of Antigen Receptor Signaling, MARS, C20orf156, SLAP2) (HRP)
133387-Biotin	SLA2 (Src-like-adapter 2, Src-like Adapter Protein 2, SLAP-2, Modulator of Antigen Receptor Signaling, MARS, C20orf156, SLAP2) (Biotin)
T8051-30G	TLR13 (Toll Like Receptor 13, Toll-like Receptor 13)
T8051-22	Toll Like Receptor 12 (Toll-like Receptor 12, Tlr12, Gm1365)