Ethyl (3,4-dichlorobenzyl)carbamate
TL;DR: Ethyl (3,4-dichlorobenzyl)carbamate (CAS 543705-36-8) is a chemical compound with molecular formula C10H11Cl2NO2 and molecular weight 247.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(3,4-dichlorophenyl)methyl]carbamate
Also Known As: ethyl (3,4-dichlorobenzyl)carbamate, ethyl N-[(3,4-dichlorophenyl)methyl]carbamate, Ethyl [(3,4-dichlorophenyl)methyl]carbamate, N-[(3,4-dichlorophenyl)methyl]ethoxycarboxamide, Carbamic acid, [(3,4-dichlorophenyl)methyl]-, ethyl ester
| Molecular Formula | C10H11Cl2NO2 |
|---|---|
| Molecular Weight | 247.02 g/mol |
| LogP | 3.2395 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.01668 |
| Heavy Atoms | 15 |
| Complexity | 355.27567 |
Chemical Identifiers
| CAS Number | 543705-36-8 |
|---|---|
| SMILES | CCOC(=O)NCC1=CC(=C(C=C1)Cl)Cl |
Product Overview
Ethyl (3,4-dichlorobenzyl)carbamate (CAS 543705-36-8), with molecular formula C10H11Cl2NO2 and molecular weight 247.02 g/mol. IUPAC: ethyl N-[(3,4-dichlorophenyl)methyl]carbamate.
Chemical Property Profile of Ethyl (3,4-dichlorobenzyl)carbamate
Property Insights of Ethyl (3,4-dichlorobenzyl)carbamate
The XLogP value of 3.2395 indicates that Ethyl (3,4-dichlorobenzyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl (3,4-dichlorobenzyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (3,4-dichlorobenzyl)carbamate 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 Ethyl (3,4-dichlorobenzyl)carbamate?
The CAS number of Ethyl (3,4-dichlorobenzyl)carbamate is 543705-36-8.
What is the molecular formula of Ethyl (3,4-dichlorobenzyl)carbamate?
The molecular formula of Ethyl (3,4-dichlorobenzyl)carbamate is C10H11Cl2NO2.
What is the molecular weight of Ethyl (3,4-dichlorobenzyl)carbamate?
The molecular weight of Ethyl (3,4-dichlorobenzyl)carbamate is 247.02 g/mol.
Where can I buy Ethyl (3,4-dichlorobenzyl)carbamate?
You can request a quote for Ethyl (3,4-dichlorobenzyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (3,4-dichlorobenzyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3,4-dichlorobenzyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.