Salicylic acid, amino-, 2-chloroethyl ester
TL;DR: Salicylic acid, amino-, 2-chloroethyl ester (CAS 16987-14-7) is a chemical compound with molecular formula C9H10ClNO3 and molecular weight 215.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 4-amino-2-hydroxybenzoate
Also Known As: Pas beta-chloraethyl ester, 2-Chloroethyl p-aminosalicylate, Pas beta-chloraethyl ester [German], Salicylic acid, amino-, 2-chloroethyl ester, 2-chloroethyl 4-amino-2-hydroxybenzoate
| Molecular Formula | C9H10ClNO3 |
|---|---|
| Molecular Weight | 215.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.03493 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 16987-14-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)O)C(=O)OCCCl |
| InChIKey | OFMMLIDYEKDFSV-UHFFFAOYSA-N |
Product Overview
Salicylic acid, amino-, 2-chloroethyl ester (CAS 16987-14-7), with molecular formula C9H10ClNO3 and molecular weight 215.03 g/mol. IUPAC: 2-chloroethyl 4-amino-2-hydroxybenzoate.
Chemical Property Profile of Salicylic acid, amino-, 2-chloroethyl ester
Property Insights of Salicylic acid, amino-, 2-chloroethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Salicylic acid, amino-, 2-chloroethyl ester. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Salicylic acid, amino-, 2-chloroethyl ester. Following Lipinski's Rule of Five, Salicylic acid, amino-, 2-chloroethyl 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 Salicylic acid, amino-, 2-chloroethyl ester?
The CAS number of Salicylic acid, amino-, 2-chloroethyl ester is 16987-14-7.
What is the molecular formula of Salicylic acid, amino-, 2-chloroethyl ester?
The molecular formula of Salicylic acid, amino-, 2-chloroethyl ester is C9H10ClNO3.
What is the molecular weight of Salicylic acid, amino-, 2-chloroethyl ester?
The molecular weight of Salicylic acid, amino-, 2-chloroethyl ester is 215.03 g/mol.
Where can I buy Salicylic acid, amino-, 2-chloroethyl ester?
You can request a quote for Salicylic acid, amino-, 2-chloroethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Salicylic acid, amino-, 2-chloroethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Salicylic acid, amino-, 2-chloroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.