Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester
TL;DR: Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester (CAS 135812-35-0) is a chemical compound with molecular formula C13H16ClNO3S and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-chloro-5-(ethoxycarbothioylamino)benzoate
Also Known As: UC-38 deriv., Acyclic oxathiin Carboxanilide deriv., Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester, isopropyl 2-chloro-5-(ethoxycarbothioylamino)benzoate, propan-2-yl 2-chloro-5-(ethoxycarbothioylamino)benzoate
| Molecular Formula | C13H16ClNO3S |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 3.6385 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.05396 |
| Heavy Atoms | 19 |
| Complexity | 476.95618 |
Chemical Identifiers
| CAS Number | 135812-35-0 |
|---|---|
| SMILES | CCOC(=S)NC1=CC(=C(C=C1)Cl)C(=O)OC(C)C |
Product Overview
Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester (CAS 135812-35-0), with molecular formula C13H16ClNO3S and molecular weight 301.05 g/mol. IUPAC: propan-2-yl 2-chloro-5-(ethoxycarbothioylamino)benzoate.
Chemical Property Profile of Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester
Property Insights of Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester
The XLogP value of 3.6385 indicates that Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester has 1 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, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester?
The CAS number of Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester is 135812-35-0.
What is the molecular formula of Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester?
The molecular formula of Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester is C13H16ClNO3S.
What is the molecular weight of Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester?
The molecular weight of Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester is 301.05 g/mol.
Where can I buy Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester?
You can request a quote for Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl 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, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.