AB00090932-01
TL;DR: AB00090932-01 (CAS 5622-96-8) is a chemical compound with molecular formula C20H16N4O4S and molecular weight 408.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-nitroanilino)prop-2-enenitrile
Also Known As: AB00090932-01, 1,2,3,4-tetrahydrobenzo<4,5>imidazo<1,2-a>pyridine, (E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-nitroanilino)prop-2-enenitrile, (2E)-2-[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-nitrophen yl)amino]acrylonitrile, 2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-nitrophenyl)amino]acrylonitrile
| Molecular Formula | C20H16N4O4S |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 4.71208 |
| Topological Polar Surface Area | 110.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.08923 |
| Heavy Atoms | 29 |
| Complexity | 1100.4142 |
Chemical Identifiers
| CAS Number | 5622-96-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC=C(C=C3)[N+](=O)[O-])/C#N)OC |
Product Overview
AB00090932-01 (CAS 5622-96-8), with molecular formula C20H16N4O4S and molecular weight 408.09 g/mol. IUPAC: (E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-nitroanilino)prop-2-enenitrile.
Chemical Property Profile of AB00090932-01
Property Insights of AB00090932-01
The XLogP value of 4.71208 indicates that AB00090932-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00090932-01. Following Lipinski's Rule of Five, AB00090932-01 has 1 hydrogen bond donor(s) and 8 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 AB00090932-01?
The CAS number of AB00090932-01 is 5622-96-8.
What is the molecular formula of AB00090932-01?
The molecular formula of AB00090932-01 is C20H16N4O4S.
What is the molecular weight of AB00090932-01?
The molecular weight of AB00090932-01 is 408.09 g/mol.
Where can I buy AB00090932-01?
You can request a quote for AB00090932-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00090932-01?
Yes, KEHONG BIO provides custom synthesis services for AB00090932-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.