Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate
TL;DR: Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate (CAS 713-86-0) 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.
1-(4-chlorophenyl)propan-2-yl carbamate
Also Known As: 1-(4-chlorophenyl)propan-2-yl carbamate, CARBAMIC ACID, p-CHLORO-alpha-METHYLPHENETHYL ESTER, Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate, Carbamic acid, p-chloro-.alpha.-methylphenethyl ester, Carbamic acid p-chloro-alpha-methylphenethyl ester
| Molecular Formula | C10H12ClNO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.05565 |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 713-86-0 |
|---|---|
| SMILES | CC(CC1=CC=C(C=C1)Cl)OC(=O)N |
| InChIKey | LYBZFTSSSXEHFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate (CAS 713-86-0), with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol. IUPAC: 1-(4-chlorophenyl)propan-2-yl carbamate.
Chemical Property Profile of Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate
Property Insights of Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate. With a topological polar surface area (TPSA) of 52.3 Ų, Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanol, 4-chloro-alpha-methyl-, 1-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 Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate?
The CAS number of Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate is 713-86-0.
What is the molecular formula of Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate?
The molecular formula of Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate is C10H12ClNO2.
What is the molecular weight of Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate?
The molecular weight of Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate is 213.06 g/mol.
Where can I buy Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate?
You can request a quote for Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.