Benzoic acid, 4-((2-chloro-1-(hydroxymethyl)ethyl)amino)-, ethyl ester
TL;DR: Benzoic acid, 4-((2-chloro-1-(hydroxymethyl)ethyl)amino)-, ethyl ester (CAS 182227-96-9) is a chemical compound with molecular formula C12H16ClNO3 and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(1-chloro-3-hydroxypropan-2-yl)amino]benzoate
Also Known As: N-Benzyl-2,6-dichloroisonicotinamide, ethyl 4-[(1-chloro-3-hydroxypropan-2-yl)amino]benzoate, Ethyl 4-((2-chloro-1-(hydroxymethyl)ethyl)amino)benzoate, 4-(1-Chloro-3-hydroxy-2-propylamino)benzoic acid ethyl ester, Benzoic acid, 4-((2-chloro-1-(hydroxymethyl)ethyl)amino)-, ethyl ester
| Molecular Formula | C12H16ClNO3 |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 1.8749 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.08188 |
| Heavy Atoms | 17 |
| Complexity | 349.27332 |
Chemical Identifiers
| CAS Number | 182227-96-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(CO)CCl |
Product Overview
Benzoic acid, 4-((2-chloro-1-(hydroxymethyl)ethyl)amino)-, ethyl ester (CAS 182227-96-9), with molecular formula C12H16ClNO3 and molecular weight 257.08 g/mol. IUPAC: ethyl 4-[(1-chloro-3-hydroxypropan-2-yl)amino]benzoate.
Chemical Property Profile of Benzoic acid, 4-((2-chloro-1-(hydroxymethyl)ethyl)amino)-, ethyl ester
Property Insights of Benzoic acid, 4-((2-chloro-1-(hydroxymethyl)ethyl)amino)-, ethyl ester
The XLogP value of 1.8749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-((2-chloro-1-(hydroxymethyl)ethyl)amino)-, ethyl ester. With a topological polar surface area (TPSA) of 58.56 Ų, Benzoic acid, 4-((2-chloro-1-(hydroxymethyl)ethyl)amino)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-((2-chloro-1-(hydroxymethyl)ethyl)amino)-, ethyl ester 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 Benzoic acid, 4-((2-chloro-1-(hydroxymethyl)ethyl)amino)-, ethyl ester?
The CAS number of Benzoic acid, 4-((2-chloro-1-(hydroxymethyl)ethyl)amino)-, ethyl ester is 182227-96-9.
What is the molecular formula of Benzoic acid, 4-((2-chloro-1-(hydroxymethyl)ethyl)amino)-, ethyl ester?
The molecular formula of Benzoic acid, 4-((2-chloro-1-(hydroxymethyl)ethyl)amino)-, ethyl ester is C12H16ClNO3.
What is the molecular weight of Benzoic acid, 4-((2-chloro-1-(hydroxymethyl)ethyl)amino)-, ethyl ester?
The molecular weight of Benzoic acid, 4-((2-chloro-1-(hydroxymethyl)ethyl)amino)-, ethyl ester is 257.08 g/mol.
Where can I buy Benzoic acid, 4-((2-chloro-1-(hydroxymethyl)ethyl)amino)-, ethyl ester?
You can request a quote for Benzoic acid, 4-((2-chloro-1-(hydroxymethyl)ethyl)amino)-, 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-((2-chloro-1-(hydroxymethyl)ethyl)amino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((2-chloro-1-(hydroxymethyl)ethyl)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.