Benzoic acid, 4-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester
TL;DR: Benzoic acid, 4-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester (CAS 160092-85-3) is a chemical compound with molecular formula C15H17N2O5P and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-ethoxycarbonylanilino)-pyridin-3-ylmethyl]phosphonic acid
Also Known As: 1-Ethyl 4-((phosphono-3-pyridinylmethyl)amino)benzoate, Benzoic acid, 4-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester, [(4-ethoxycarbonylanilino)-pyridin-3-ylmethyl]phosphonic acid, {[4-(Ethoxycarbonyl)anilino](pyridin-3-yl)methyl}phosphonic acid, RefChem:327363
| Molecular Formula | C15H17N2O5P |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 2.5467 |
| Topological Polar Surface Area | 108.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.0875 |
| Heavy Atoms | 23 |
| Complexity | 699.567 |
Chemical Identifiers
| CAS Number | 160092-85-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(C2=CN=CC=C2)P(=O)(O)O |
Product Overview
Benzoic acid, 4-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester (CAS 160092-85-3), with molecular formula C15H17N2O5P and molecular weight 336.09 g/mol. IUPAC: [(4-ethoxycarbonylanilino)-pyridin-3-ylmethyl]phosphonic acid.
Chemical Property Profile of Benzoic acid, 4-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester
Property Insights of Benzoic acid, 4-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester
The XLogP value of 2.5467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester. The TPSA of 108.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester has 3 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-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester?
The CAS number of Benzoic acid, 4-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester is 160092-85-3.
What is the molecular formula of Benzoic acid, 4-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester?
The molecular formula of Benzoic acid, 4-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester is C15H17N2O5P.
What is the molecular weight of Benzoic acid, 4-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester?
The molecular weight of Benzoic acid, 4-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester is 336.09 g/mol.
Where can I buy Benzoic acid, 4-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester?
You can request a quote for Benzoic acid, 4-((phosphono-3-pyridinylmethyl)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-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.