MDRTB-IN-1 5mg

CAT: 0628-A13440-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A13440-5Size:5 mg

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CAS Number

1973401-05-6

Chemical Information

Mdrtb-IN-1

CAS Number	1973401-05-6
PubChem CID	132527222
IUPAC Name	ethyl 2-methyl-6-pyrrolidin-1-ylfuro[2,3-b]pyridine-3-carboxylate
Molecular Formula	C15H18N2O3
Molecular Weight	274.31
XLogP	3.2
Topological Polar Surface Area	55.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	357

SMILES

CCOC(=O)C1=C(OC2=C1C=CC(=N2)N3CCCC3)C

InChI

InChI=1S/C15H18N2O3/c1-3-19-15(18)13-10(2)20-14-11(13)6-7-12(16-14)17-8-4-5-9-17/h6-7H,3-5,8-9H2,1-2H3

InChIKey

DQBFHJYQTIUHIN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1973401-05-6

CID: 132527222

Formula: C15H18N2O3

MW: 274.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	274.31
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	274.13174244
Monoisotopic Mass	274.13174244
Topological Polar Surface Area	55.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	357
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
GTR19205432-01	MDRTB-IN-1
297272-01	1,1,1,1,1-Kestoheptaose
N2864-10	1,1,1,1-Kestohexaose
MBS5752139	1,1,1,1-Kestohexose
DFA88480-01	1-Bromobicyclo[1.1.1]pentane
410416-01	1,1,1-Trichlorododcane
158582	1,1,1-Trimethoxybutane
TRC-T773995-100MG	1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
HY-157129	AMPK-α1β1γ1 activator 1