AB00713851-01
TL;DR: AB00713851-01 (CAS 522656-82-2) is a chemical compound with molecular formula C23H18ClN3O3 and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-3-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid
Also Known As: AB00713851-01, 3-{3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enamido}benzoic acid, 3-[[(E)-3-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid, 3-[[3-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoyl]amino]benzoic Acid
| Molecular Formula | C23H18ClN3O3 |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 4.99142 |
| Topological Polar Surface Area | 95.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.10367 |
| Heavy Atoms | 30 |
| Complexity | 1201.4215 |
Chemical Identifiers
| CAS Number | 522656-82-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)/C=C(\C#N)/C(=O)NC3=CC=CC(=C3)C(=O)O |
Product Overview
AB00713851-01 (CAS 522656-82-2), with molecular formula C23H18ClN3O3 and molecular weight 419.10 g/mol. IUPAC: 3-[[(E)-3-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of AB00713851-01
Property Insights of AB00713851-01
The XLogP value of 4.99142 indicates that AB00713851-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00713851-01. Following Lipinski's Rule of Five, AB00713851-01 has 2 hydrogen bond donor(s) and 3 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 AB00713851-01?
The CAS number of AB00713851-01 is 522656-82-2.
What is the molecular formula of AB00713851-01?
The molecular formula of AB00713851-01 is C23H18ClN3O3.
What is the molecular weight of AB00713851-01?
The molecular weight of AB00713851-01 is 419.10 g/mol.
Where can I buy AB00713851-01?
You can request a quote for AB00713851-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00713851-01?
Yes, KEHONG BIO provides custom synthesis services for AB00713851-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.