AB00734817-01
TL;DR: AB00734817-01 (CAS 444598-25-8) is a chemical compound with molecular formula C18H15ClN2O3 and molecular weight 342.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
Also Known As: AB00734817-01, (2E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide, (E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide, 3-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide, (E)-3-(3-CHLORO-4-HYDROXY-5-METHOXYPHENYL)-2-CYANO-N~1~-(4-METHYLPHENYL)-2-PROPENAMIDE
| Molecular Formula | C18H15ClN2O3 |
|---|---|
| Molecular Weight | 342.08 g/mol |
| LogP | 3.9083 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.07712 |
| Heavy Atoms | 24 |
| Complexity | 836.57776 |
Chemical Identifiers
| CAS Number | 444598-25-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C(=C2)Cl)O)OC)/C#N |
Product Overview
AB00734817-01 (CAS 444598-25-8), with molecular formula C18H15ClN2O3 and molecular weight 342.08 g/mol. IUPAC: (E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide.
Chemical Property Profile of AB00734817-01
Property Insights of AB00734817-01
The XLogP value of 3.9083 indicates that AB00734817-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00734817-01. Following Lipinski's Rule of Five, AB00734817-01 has 2 hydrogen bond donor(s) and 4 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 AB00734817-01?
The CAS number of AB00734817-01 is 444598-25-8.
What is the molecular formula of AB00734817-01?
The molecular formula of AB00734817-01 is C18H15ClN2O3.
What is the molecular weight of AB00734817-01?
The molecular weight of AB00734817-01 is 342.08 g/mol.
Where can I buy AB00734817-01?
You can request a quote for AB00734817-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00734817-01?
Yes, KEHONG BIO provides custom synthesis services for AB00734817-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.