G15

CAT: 0127-BUP02713-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP02713-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1161002-05-6

Purity

=98%

Smiles

Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12

Chemical Information

(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

CAS Number	1161002-05-6
PubChem CID	7433743
IUPAC Name	(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Molecular Formula	C19H16BrNO2
Molecular Weight	370.2
XLogP	4.9
Topological Polar Surface Area	30.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	23
Formal Charge	0
Complexity	484

SMILES

C1C=C[C@@H]2[C@H]1[C@@H](NC3=CC=CC=C23)C4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C19H16BrNO2/c20-15-9-18-17(22-10-23-18)8-14(15)19-13-6-3-5-11(13)12-4-1-2-7-16(12)21-19/h1-5,7-9,11,13,19,21H,6,10H2/t11-,13-,19+/m0/s1

InChIKey

YOLTZIVRJAPVPH-MJLGCCKJSA-N

Chemical Structure

2D Structure

CAS: 1161002-05-6

CID: 7433743

Formula: C19H16BrNO2

MW: 370.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	370.2
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	369.03644
Monoisotopic Mass	369.03644
Topological Polar Surface Area	30.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	484
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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
BUP05231-01	G150

Catalog	Name
303-150	Riboclear (RNA Cleanup)
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122-101	ExgeneTM Forensic SV mini
TBS10483-100	Tribio InVivoMAb Anti-Mouse PD-L1 & CD28 Bispecific Antibody
TBS10183-1mg	Monoclonal Anti-Thyroid Stimulating Hormone (TSH) Antibody
TBS10340-0.5MG	InVivo Mouse IgG1 Isotype Control Antibody
121-220	Exfection Plasmid EF (Exdotoxin Free, Midi)
TBS10482-100	Tribio InVivoMAb Anti-Mouse PD-L1 & OX40 Bispecific Antibody