AB00104446-01
TL;DR: AB00104446-01 (CAS 425619-13-2) is a chemical compound with molecular formula C19H14ClNO5 and molecular weight 371.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic acid
Also Known As: AB00104446-01, 3-[3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid, 3-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid, 3-[3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid
| Molecular Formula | C19H14ClNO5 |
|---|---|
| Molecular Weight | 371.06 g/mol |
| LogP | 3.5272 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.05606 |
| Heavy Atoms | 26 |
| Complexity | 948.6568 |
Chemical Identifiers
| CAS Number | 425619-13-2 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Cl)C3=CC=CC(=C3)C(=O)O)O |
Product Overview
AB00104446-01 (CAS 425619-13-2), with molecular formula C19H14ClNO5 and molecular weight 371.06 g/mol. IUPAC: 3-[3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic acid.
Chemical Property Profile of AB00104446-01
Property Insights of AB00104446-01
The XLogP value of 3.5272 indicates that AB00104446-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00104446-01. Following Lipinski's Rule of Five, AB00104446-01 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 AB00104446-01?
The CAS number of AB00104446-01 is 425619-13-2.
What is the molecular formula of AB00104446-01?
The molecular formula of AB00104446-01 is C19H14ClNO5.
What is the molecular weight of AB00104446-01?
The molecular weight of AB00104446-01 is 371.06 g/mol.
Where can I buy AB00104446-01?
You can request a quote for AB00104446-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00104446-01?
Yes, KEHONG BIO provides custom synthesis services for AB00104446-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.