AB00092990-01
TL;DR: AB00092990-01 (CAS 5674-97-5) is a chemical compound with molecular formula C21H13BrN4O4S and molecular weight 495.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-10-bromo-4-[[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methylidene]-5-thia-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-3-one
Also Known As: AB00092990-01, 7-bromo-2-{[5-(2,5-dimethyl-4-nitrophenyl)-2-furyl]methylene}[1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-3(2H)-one
| Molecular Formula | C21H13BrN4O4S |
|---|---|
| Molecular Weight | 495.98 g/mol |
| LogP | 4.39944 |
| Topological Polar Surface Area | 103.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 495.9841 |
| Heavy Atoms | 31 |
| Complexity | 1632.8948 |
Chemical Identifiers
| CAS Number | 5674-97-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])C)C2=CC=C(O2)/C=C\3/C(=O)N4C5=C(C=C(C=N5)Br)N=C4S3 |
Product Overview
AB00092990-01 (CAS 5674-97-5), with molecular formula C21H13BrN4O4S and molecular weight 495.98 g/mol. IUPAC: (4Z)-10-bromo-4-[[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]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 AB00092990-01
Property Insights of AB00092990-01
The XLogP value of 4.39944 indicates that AB00092990-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.54 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00092990-01. Following Lipinski's Rule of Five, AB00092990-01 has 0 hydrogen bond donor(s) and 7 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 AB00092990-01?
The CAS number of AB00092990-01 is 5674-97-5.
What is the molecular formula of AB00092990-01?
The molecular formula of AB00092990-01 is C21H13BrN4O4S.
What is the molecular weight of AB00092990-01?
The molecular weight of AB00092990-01 is 495.98 g/mol.
Where can I buy AB00092990-01?
You can request a quote for AB00092990-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00092990-01?
Yes, KEHONG BIO provides custom synthesis services for AB00092990-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.