AB00672691-01
TL;DR: AB00672691-01 (CAS 477298-12-7) is a chemical compound with molecular formula C16H9FN4O2S2 and molecular weight 372.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-fluoro-5-nitroanilino)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
Also Known As: AB00672691-01, F0837-0478, (E)-3-((2-fluoro-5-nitrophenyl)amino)-2-(4-(thiophen-2-yl)thiazol-2-yl)acrylonitrile, (E)-3-(2-fluoro-5-nitroanilino)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile, (2E)-3-[(2-fluoro-5-nitrophenyl)amino]-2-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C16H9FN4O2S2 |
|---|---|
| Molecular Weight | 372.02 g/mol |
| LogP | 4.89548 |
| Topological Polar Surface Area | 91.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.0151 |
| Heavy Atoms | 25 |
| Complexity | 989.9859 |
Chemical Identifiers
| CAS Number | 477298-12-7 |
|---|---|
| SMILES | C1=CSC(=C1)C2=CSC(=N2)/C(=C/NC3=C(C=CC(=C3)[N+](=O)[O-])F)/C#N |
Product Overview
AB00672691-01 (CAS 477298-12-7), with molecular formula C16H9FN4O2S2 and molecular weight 372.02 g/mol. IUPAC: (E)-3-(2-fluoro-5-nitroanilino)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of AB00672691-01
Property Insights of AB00672691-01
The XLogP value of 4.89548 indicates that AB00672691-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672691-01. Following Lipinski's Rule of Five, AB00672691-01 has 1 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 AB00672691-01?
The CAS number of AB00672691-01 is 477298-12-7.
What is the molecular formula of AB00672691-01?
The molecular formula of AB00672691-01 is C16H9FN4O2S2.
What is the molecular weight of AB00672691-01?
The molecular weight of AB00672691-01 is 372.02 g/mol.
Where can I buy AB00672691-01?
You can request a quote for AB00672691-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672691-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672691-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.