Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester
TL;DR: Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester (CAS 182227-98-1) is a chemical compound with molecular formula C16H18NO5P and molecular weight 335.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethoxycarbonylanilino)methyl-phenoxyphosphinic acid
Also Known As: 4-(alpha-Phosphonobenzylamino)benzoic acid ethyl ester, 1-Ethyl 4-((phenylphosphonomethyl)amino)benzoate, Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester, (4-ethoxycarbonylanilino)methyl-phenoxyphosphinic acid, Ethyl 4-({[hydroxy(phenoxy)phosphoryl]methyl}amino)benzoate
| Molecular Formula | C16H18NO5P |
|---|---|
| Molecular Weight | 335.09 g/mol |
| LogP | 3.4971 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 335.09225 |
| Heavy Atoms | 23 |
| Complexity | 687.3766 |
Chemical Identifiers
| CAS Number | 182227-98-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCP(=O)(O)OC2=CC=CC=C2 |
Product Overview
Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester (CAS 182227-98-1), with molecular formula C16H18NO5P and molecular weight 335.09 g/mol. IUPAC: (4-ethoxycarbonylanilino)methyl-phenoxyphosphinic acid.
Chemical Property Profile of Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester
Property Insights of Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester
The XLogP value of 3.4971 indicates that Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester 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 Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester?
The CAS number of Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester is 182227-98-1.
What is the molecular formula of Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester?
The molecular formula of Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester is C16H18NO5P.
What is the molecular weight of Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester?
The molecular weight of Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester is 335.09 g/mol.
Where can I buy Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester?
You can request a quote for Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.