AB00720013-01
TL;DR: AB00720013-01 (CAS 733762-70-4) 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.
4-[[(E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]amino]benzoic acid
Also Known As: AB00720013-01, 4-[[(E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]amino]benzoic acid, 4-[[2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]amino]benzoic Acid, 4-{2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enamido}benzoic acid
| Molecular Formula | C24H21N3O4 |
|---|---|
| Molecular Weight | 415.15 g/mol |
| LogP | 4.34662 |
| Topological Polar Surface Area | 104.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.1532 |
| Heavy Atoms | 31 |
| Complexity | 1197.3617 |
Chemical Identifiers
| CAS Number | 733762-70-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
AB00720013-01 (CAS 733762-70-4), with molecular formula C24H21N3O4 and molecular weight 415.15 g/mol. IUPAC: 4-[[(E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of AB00720013-01
Property Insights of AB00720013-01
The XLogP value of 4.34662 indicates that AB00720013-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00720013-01. Following Lipinski's Rule of Five, AB00720013-01 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 AB00720013-01?
The CAS number of AB00720013-01 is 733762-70-4.
What is the molecular formula of AB00720013-01?
The molecular formula of AB00720013-01 is C24H21N3O4.
What is the molecular weight of AB00720013-01?
The molecular weight of AB00720013-01 is 415.15 g/mol.
Where can I buy AB00720013-01?
You can request a quote for AB00720013-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00720013-01?
Yes, KEHONG BIO provides custom synthesis services for AB00720013-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.