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Ethyl [2-(3-chlorophenyl)ethyl]carbamate
TL;DR: Ethyl [2-(3-chlorophenyl)ethyl]carbamate (CAS 404597-83-7) is a chemical compound with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-(3-chlorophenyl)ethyl]carbamate
Also Known As: Ethyl (3-chlorophenethyl)carbamate, Ethyl N-[2-(3-chlorophenyl)ethyl]carbamate, ethyl [2-(3-chlorophenyl)ethyl]carbamate, 3-Chlorophenethylcarbamic acid ethyl ester, J1.615.076B
| Molecular Formula | C11H14ClNO2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 2.6286 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.0713 |
| Heavy Atoms | 15 |
| Complexity | 328.1189 |
Chemical Identifiers
| CAS Number | 404597-83-7 |
|---|---|
| SMILES | CCOC(=O)NCCC1=CC(=CC=C1)Cl |
Product Overview
Ethyl [2-(3-chlorophenyl)ethyl]carbamate (CAS 404597-83-7), with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol. IUPAC: ethyl N-[2-(3-chlorophenyl)ethyl]carbamate.
Chemical Property Profile of Ethyl [2-(3-chlorophenyl)ethyl]carbamate
Property Insights of Ethyl [2-(3-chlorophenyl)ethyl]carbamate
The XLogP value of 2.6286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [2-(3-chlorophenyl)ethyl]carbamate. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl [2-(3-chlorophenyl)ethyl]carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl [2-(3-chlorophenyl)ethyl]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 [2-(3-chlorophenyl)ethyl]carbamate?
The CAS number of Ethyl [2-(3-chlorophenyl)ethyl]carbamate is 404597-83-7.
What is the molecular formula of Ethyl [2-(3-chlorophenyl)ethyl]carbamate?
The molecular formula of Ethyl [2-(3-chlorophenyl)ethyl]carbamate is C11H14ClNO2.
What is the molecular weight of Ethyl [2-(3-chlorophenyl)ethyl]carbamate?
The molecular weight of Ethyl [2-(3-chlorophenyl)ethyl]carbamate is 227.07 g/mol.
Where can I buy Ethyl [2-(3-chlorophenyl)ethyl]carbamate?
You can request a quote for Ethyl [2-(3-chlorophenyl)ethyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [2-(3-chlorophenyl)ethyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [2-(3-chlorophenyl)ethyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.