Carbanilic acid, 2,5-dichloro-, 2-mercaptoethyl ester
TL;DR: Carbanilic acid, 2,5-dichloro-, 2-mercaptoethyl ester (CAS 73623-07-1) is a chemical compound with molecular formula C9H9Cl2NO2S and molecular weight 264.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylethyl N-(2,5-dichlorophenyl)carbamate
Also Known As: 2-Mercaptoethyl 2,5-dichlorocarbanilate, 2-sulfanylethyl N-(2,5-dichlorophenyl)carbamate, CARBANILIC ACID, 2,5-DICHLORO-, 2-MERCAPTOETHYL ESTER, 2-sulfanylethyl (2,5-dichlorophenyl)carbamate, 2,5-Dichlorocarbanilic acid 2-mercaptoethyl ester
| Molecular Formula | C9H9Cl2NO2S |
|---|---|
| Molecular Weight | 264.97 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.9731 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 73623-07-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)NC(=O)OCCS)Cl |
| InChIKey | ZJIFMHJRHKCSEP-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, 2,5-dichloro-, 2-mercaptoethyl ester (CAS 73623-07-1), with molecular formula C9H9Cl2NO2S and molecular weight 264.97 g/mol. IUPAC: 2-sulfanylethyl N-(2,5-dichlorophenyl)carbamate.
Chemical Property Profile of Carbanilic acid, 2,5-dichloro-, 2-mercaptoethyl ester
Property Insights of Carbanilic acid, 2,5-dichloro-, 2-mercaptoethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, 2,5-dichloro-, 2-mercaptoethyl ester. With a topological polar surface area (TPSA) of 39.3 Ų, Carbanilic acid, 2,5-dichloro-, 2-mercaptoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 2,5-dichloro-, 2-mercaptoethyl ester has 2 hydrogen bond donor(s) and 3 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 Carbanilic acid, 2,5-dichloro-, 2-mercaptoethyl ester?
The CAS number of Carbanilic acid, 2,5-dichloro-, 2-mercaptoethyl ester is 73623-07-1.
What is the molecular formula of Carbanilic acid, 2,5-dichloro-, 2-mercaptoethyl ester?
The molecular formula of Carbanilic acid, 2,5-dichloro-, 2-mercaptoethyl ester is C9H9Cl2NO2S.
What is the molecular weight of Carbanilic acid, 2,5-dichloro-, 2-mercaptoethyl ester?
The molecular weight of Carbanilic acid, 2,5-dichloro-, 2-mercaptoethyl ester is 264.97 g/mol.
Where can I buy Carbanilic acid, 2,5-dichloro-, 2-mercaptoethyl ester?
You can request a quote for Carbanilic acid, 2,5-dichloro-, 2-mercaptoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, 2,5-dichloro-, 2-mercaptoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 2,5-dichloro-, 2-mercaptoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.