AB00093001-01
TL;DR: AB00093001-01 (CAS 343591-66-2) is a chemical compound with molecular formula C17H13BrN4OS and molecular weight 400.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-10-bromo-4-[[4-(dimethylamino)phenyl]methylidene]-5-thia-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-3-one
Also Known As: AB00093001-01, (2Z)-7-bromo-2-[4-(dimethylamino)benzylidene][1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-3(2H)-one, (7Z)-3-bromo-7-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[4,5]imidazo[1,2-b]pyridin-8-one, 2-{[4-(dimethylamino)phenyl]methylene}-7-bromopyridino[3',2'-4,5]imidazo[2,1-b ]1,3-thiazolidin-3-one, 7-bromo-2-[4-(dimethylamino)benzylidene][1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-3(2H)-one
| Molecular Formula | C17H13BrN4OS |
|---|---|
| Molecular Weight | 400.00 g/mol |
| LogP | 2.6804 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.99933 |
| Heavy Atoms | 24 |
| Complexity | 1161.4529 |
Chemical Identifiers
| CAS Number | 343591-66-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)N3C4=C(C=C(C=N4)Br)N=C3S2 |
Product Overview
AB00093001-01 (CAS 343591-66-2), with molecular formula C17H13BrN4OS and molecular weight 400.00 g/mol. IUPAC: (4Z)-10-bromo-4-[[4-(dimethylamino)phenyl]methylidene]-5-thia-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-3-one.
Chemical Property Profile of AB00093001-01
Property Insights of AB00093001-01
The XLogP value of 2.6804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00093001-01. With a topological polar surface area (TPSA) of 50.5 Ų, AB00093001-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00093001-01 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00093001-01?
The CAS number of AB00093001-01 is 343591-66-2.
What is the molecular formula of AB00093001-01?
The molecular formula of AB00093001-01 is C17H13BrN4OS.
What is the molecular weight of AB00093001-01?
The molecular weight of AB00093001-01 is 400.00 g/mol.
Where can I buy AB00093001-01?
You can request a quote for AB00093001-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00093001-01?
Yes, KEHONG BIO provides custom synthesis services for AB00093001-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.