Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester
TL;DR: Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester (CAS 80354-46-7) is a chemical compound with molecular formula C9H7Cl4NO2 and molecular weight 300.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,5-trichlorophenyl) N-(2-chloroethyl)carbamate
Also Known As: (2,4,5-trichlorophenyl) N-(2-chloroethyl)carbamate, Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester, Carbamic acid, 2,4,5-trichlorophenyl ester, 2,4,5-Trichlorophenyl (2-chloroethyl)carbamate, 2,4,5-trichlorophenyl N-(2-chloroethyl)carbamate
| Molecular Formula | C9H7Cl4NO2 |
|---|---|
| Molecular Weight | 300.92 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.9231 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 80354-46-7 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)OC(=O)NCCCl |
| InChIKey | OHDYMRIIHXGSEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester (CAS 80354-46-7), with molecular formula C9H7Cl4NO2 and molecular weight 300.92 g/mol. IUPAC: (2,4,5-trichlorophenyl) N-(2-chloroethyl)carbamate.
Chemical Property Profile of Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester
Property Insights of Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester
The XLogP value of 4.0 indicates that Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester has 1 hydrogen bond donor(s) and 2 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 Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester?
The CAS number of Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester is 80354-46-7.
What is the molecular formula of Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester?
The molecular formula of Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester is C9H7Cl4NO2.
What is the molecular weight of Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester?
The molecular weight of Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester is 300.92 g/mol.
Where can I buy Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester?
You can request a quote for Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (2-chloroethyl)-, 2,4,5-trichlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.