AB00685766-01
TL;DR: AB00685766-01 (CAS 1001567-41-4) is a chemical compound with molecular formula C24H21N3O4 and molecular weight 415.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-3-(4-phenylphenyl)pyrazol-1-yl]propanoic acid
Also Known As: AB00685766-01, (Z)-3-(3-([1,1'-biphenyl]-4-yl)-4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)-1H-pyrazol-1-yl)propanoic acid, 3-[4-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-3-(4-phenylphenyl)pyrazol-1-yl]propanoic acid, F1218-0667, 3-(3-{[1,1'-biphenyl]-4-yl}-4-[(1Z)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl)propanoic acid
| Molecular Formula | C24H21N3O4 |
|---|---|
| Molecular Weight | 415.15 g/mol |
| LogP | 4.16188 |
| Topological Polar Surface Area | 105.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.1532 |
| Heavy Atoms | 31 |
| Complexity | 1139.8175 |
Chemical Identifiers
| CAS Number | 1001567-41-4 |
|---|---|
| SMILES | CCOC(=O)/C(=C\C1=CN(N=C1C2=CC=C(C=C2)C3=CC=CC=C3)CCC(=O)O)/C#N |
Product Overview
AB00685766-01 (CAS 1001567-41-4), with molecular formula C24H21N3O4 and molecular weight 415.15 g/mol. IUPAC: 3-[4-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-3-(4-phenylphenyl)pyrazol-1-yl]propanoic acid.
Chemical Property Profile of AB00685766-01
Property Insights of AB00685766-01
The XLogP value of 4.16188 indicates that AB00685766-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685766-01. Following Lipinski's Rule of Five, AB00685766-01 has 1 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 AB00685766-01?
The CAS number of AB00685766-01 is 1001567-41-4.
What is the molecular formula of AB00685766-01?
The molecular formula of AB00685766-01 is C24H21N3O4.
What is the molecular weight of AB00685766-01?
The molecular weight of AB00685766-01 is 415.15 g/mol.
Where can I buy AB00685766-01?
You can request a quote for AB00685766-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685766-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685766-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.