A1904/0080001
TL;DR: A1904/0080001 (CAS 496809-38-2) is a chemical compound with molecular formula C21H20N2O5 and molecular weight 380.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl)amino]benzoic acid
Also Known As: A1904/0080001, 3-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoic acid, 3-[(5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl)amino]benzoic acid, 3-((5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino)benzoic acid
| Molecular Formula | C21H20N2O5 |
|---|---|
| Molecular Weight | 380.14 g/mol |
| LogP | 3.0492 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.1372 |
| Heavy Atoms | 28 |
| Complexity | 954.27814 |
Chemical Identifiers
| CAS Number | 496809-38-2 |
|---|---|
| SMILES | CCOC(=O)C1(C=C(C(=O)N1C2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)O)C |
Product Overview
A1904/0080001 (CAS 496809-38-2), with molecular formula C21H20N2O5 and molecular weight 380.14 g/mol. IUPAC: 3-[(5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl)amino]benzoic acid.
Chemical Property Profile of A1904/0080001
Property Insights of A1904/0080001
The XLogP value of 3.0492 indicates that A1904/0080001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for A1904/0080001. Following Lipinski's Rule of Five, A1904/0080001 has 2 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 A1904/0080001?
The CAS number of A1904/0080001 is 496809-38-2.
What is the molecular formula of A1904/0080001?
The molecular formula of A1904/0080001 is C21H20N2O5.
What is the molecular weight of A1904/0080001?
The molecular weight of A1904/0080001 is 380.14 g/mol.
Where can I buy A1904/0080001?
You can request a quote for A1904/0080001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1904/0080001?
Yes, KEHONG BIO provides custom synthesis services for A1904/0080001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.