AB00713124-01
TL;DR: AB00713124-01 (CAS 380565-69-5) is a chemical compound with molecular formula C25H20ClN3O5 and molecular weight 477.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-2-cyano-N-(2-nitrophenyl)prop-2-enamide
Also Known As: AB00713124-01, 3-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]-2-cyano-N-(2-nitrophenyl)prop-2-enamide, 3-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-2-cyano-N-(2-nitrophenyl)prop-2-enamide, (E)-3-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-2-cyano-N-(2-nitrophenyl)prop-2-enamide
| Molecular Formula | C25H20ClN3O5 |
|---|---|
| Molecular Weight | 477.11 g/mol |
| LogP | 5.77158 |
| Topological Polar Surface Area | 114.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 477.10916 |
| Heavy Atoms | 34 |
| Complexity | 1266.288 |
Chemical Identifiers
| CAS Number | 380565-69-5 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2[N+](=O)[O-])OCC3=CC=C(C=C3)Cl |
Product Overview
AB00713124-01 (CAS 380565-69-5), with molecular formula C25H20ClN3O5 and molecular weight 477.11 g/mol. IUPAC: (E)-3-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-2-cyano-N-(2-nitrophenyl)prop-2-enamide.
Chemical Property Profile of AB00713124-01
Property Insights of AB00713124-01
The XLogP value of 5.77158 indicates that AB00713124-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.49 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00713124-01. Following Lipinski's Rule of Five, AB00713124-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00713124-01?
The CAS number of AB00713124-01 is 380565-69-5.
What is the molecular formula of AB00713124-01?
The molecular formula of AB00713124-01 is C25H20ClN3O5.
What is the molecular weight of AB00713124-01?
The molecular weight of AB00713124-01 is 477.11 g/mol.
Where can I buy AB00713124-01?
You can request a quote for AB00713124-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00713124-01?
Yes, KEHONG BIO provides custom synthesis services for AB00713124-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.