AB00729576-01
TL;DR: AB00729576-01 (CAS 795284-17-2) is a chemical compound with molecular formula C21H20ClN3O4 and molecular weight 413.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(4-acetamidophenyl)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-cyanoprop-2-enamide
Also Known As: AB00729576-01, (E)-N-(4-acetamidophenyl)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-cyanoprop-2-enamide, 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-cyano-N-(4-acetamidophenyl)prop-2-enamide
| Molecular Formula | C21H20ClN3O4 |
|---|---|
| Molecular Weight | 413.11 g/mol |
| LogP | 4.25138 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.11423 |
| Heavy Atoms | 29 |
| Complexity | 978.6561 |
Chemical Identifiers
| CAS Number | 795284-17-2 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)NC(=O)C)Cl)OC |
Product Overview
AB00729576-01 (CAS 795284-17-2), with molecular formula C21H20ClN3O4 and molecular weight 413.11 g/mol. IUPAC: (E)-N-(4-acetamidophenyl)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-cyanoprop-2-enamide.
Chemical Property Profile of AB00729576-01
Property Insights of AB00729576-01
The XLogP value of 4.25138 indicates that AB00729576-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.45 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00729576-01. Following Lipinski's Rule of Five, AB00729576-01 has 2 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 AB00729576-01?
The CAS number of AB00729576-01 is 795284-17-2.
What is the molecular formula of AB00729576-01?
The molecular formula of AB00729576-01 is C21H20ClN3O4.
What is the molecular weight of AB00729576-01?
The molecular weight of AB00729576-01 is 413.11 g/mol.
Where can I buy AB00729576-01?
You can request a quote for AB00729576-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00729576-01?
Yes, KEHONG BIO provides custom synthesis services for AB00729576-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.