Methyl (3-chlorophenethyl)carbamate
TL;DR: Methyl (3-chlorophenethyl)carbamate (CAS 545348-56-9) is a chemical compound with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
Also Known As: Methyl (3-chlorophenethyl)carbamate, Methyl 3-chlorophenethylcarbamate, Methyl N-[2-(3-chlorophenyl)ethyl]carbamate, methyl [2-(3-chlorophenyl)ethyl]carbamate, N-[2-(3-chlorophenyl)ethyl]methoxycarboxamide
| Molecular Formula | C10H12ClNO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 2.2385 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.05565 |
| Heavy Atoms | 14 |
| Complexity | 314.74524 |
Chemical Identifiers
| CAS Number | 545348-56-9 |
|---|---|
| SMILES | COC(=O)NCCC1=CC(=CC=C1)Cl |
Product Overview
Methyl (3-chlorophenethyl)carbamate (CAS 545348-56-9), with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol. IUPAC: methyl N-[2-(3-chlorophenyl)ethyl]carbamate.
Chemical Property Profile of Methyl (3-chlorophenethyl)carbamate
Property Insights of Methyl (3-chlorophenethyl)carbamate
The XLogP value of 2.2385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (3-chlorophenethyl)carbamate. With a topological polar surface area (TPSA) of 38.33 Ų, Methyl (3-chlorophenethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (3-chlorophenethyl)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 Methyl (3-chlorophenethyl)carbamate?
The CAS number of Methyl (3-chlorophenethyl)carbamate is 545348-56-9.
What is the molecular formula of Methyl (3-chlorophenethyl)carbamate?
The molecular formula of Methyl (3-chlorophenethyl)carbamate is C10H12ClNO2.
What is the molecular weight of Methyl (3-chlorophenethyl)carbamate?
The molecular weight of Methyl (3-chlorophenethyl)carbamate is 213.06 g/mol.
Where can I buy Methyl (3-chlorophenethyl)carbamate?
You can request a quote for Methyl (3-chlorophenethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (3-chlorophenethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (3-chlorophenethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.