AB00685154-01
TL;DR: AB00685154-01 (CAS 851267-20-4) is a chemical compound with molecular formula C21H16N4O3S and molecular weight 404.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]phenyl]acetamide
Also Known As: AB00685154-01, F0760-2044, (E)-N-(4-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)phenyl)acetamide, N-(4-{[(1E)-2-[4-(2H-1,3-BENZODIOXOL-5-YL)-1,3-THIAZOL-2-YL]-2-CYANOETH-1-EN-1-YL]AMINO}PHENYL)ACETAMIDE, N-[4-[[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]phenyl]acetamide
| Molecular Formula | C21H16N4O3S |
|---|---|
| Molecular Weight | 404.09 g/mol |
| LogP | 4.47378 |
| Topological Polar Surface Area | 96.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.0943 |
| Heavy Atoms | 29 |
| Complexity | 1129.5731 |
Chemical Identifiers
| CAS Number | 851267-20-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC4=C(C=C3)OCO4 |
Product Overview
AB00685154-01 (CAS 851267-20-4), with molecular formula C21H16N4O3S and molecular weight 404.09 g/mol. IUPAC: N-[4-[[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]phenyl]acetamide.
Chemical Property Profile of AB00685154-01
Property Insights of AB00685154-01
The XLogP value of 4.47378 indicates that AB00685154-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685154-01. Following Lipinski's Rule of Five, AB00685154-01 has 2 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 AB00685154-01?
The CAS number of AB00685154-01 is 851267-20-4.
What is the molecular formula of AB00685154-01?
The molecular formula of AB00685154-01 is C21H16N4O3S.
What is the molecular weight of AB00685154-01?
The molecular weight of AB00685154-01 is 404.09 g/mol.
Where can I buy AB00685154-01?
You can request a quote for AB00685154-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685154-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685154-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.