2-Cyano-2-propyl N-(3-chlorophenyl)carbamate
TL;DR: 2-Cyano-2-propyl N-(3-chlorophenyl)carbamate (CAS 3686-30-4) is a chemical compound with molecular formula C11H11ClN2O2 and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanopropan-2-yl N-(3-chlorophenyl)carbamate
Also Known As: 2-cyanopropan-2-yl N-(3-chlorophenyl)carbamate, 1-cyano-1-methylethyl (3-chlorophenyl)carbamate, 2-Cyanopropan-2-yl (3-chlorophenyl)carbamate, 2-CYANO-2-PROPYL N-(3-CHLOROPHENYL)CARBAMATE, AB00085914-01
| Molecular Formula | C11H11ClN2O2 |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.0509 |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 3686-30-4 |
|---|---|
| SMILES | CC(C)(C#N)OC(=O)NC1=CC(=CC=C1)Cl |
| InChIKey | DDZSCNYJDLYYEG-UHFFFAOYSA-N |
Product Overview
2-Cyano-2-propyl N-(3-chlorophenyl)carbamate (CAS 3686-30-4), with molecular formula C11H11ClN2O2 and molecular weight 238.05 g/mol. IUPAC: 2-cyanopropan-2-yl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of 2-Cyano-2-propyl N-(3-chlorophenyl)carbamate
Property Insights of 2-Cyano-2-propyl N-(3-chlorophenyl)carbamate
The XLogP value of 3.0 indicates that 2-Cyano-2-propyl N-(3-chlorophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-2-propyl N-(3-chlorophenyl)carbamate. Following Lipinski's Rule of Five, 2-Cyano-2-propyl N-(3-chlorophenyl)carbamate has 1 hydrogen bond donor(s) and 3 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 2-Cyano-2-propyl N-(3-chlorophenyl)carbamate?
The CAS number of 2-Cyano-2-propyl N-(3-chlorophenyl)carbamate is 3686-30-4.
What is the molecular formula of 2-Cyano-2-propyl N-(3-chlorophenyl)carbamate?
The molecular formula of 2-Cyano-2-propyl N-(3-chlorophenyl)carbamate is C11H11ClN2O2.
What is the molecular weight of 2-Cyano-2-propyl N-(3-chlorophenyl)carbamate?
The molecular weight of 2-Cyano-2-propyl N-(3-chlorophenyl)carbamate is 238.05 g/mol.
Where can I buy 2-Cyano-2-propyl N-(3-chlorophenyl)carbamate?
You can request a quote for 2-Cyano-2-propyl N-(3-chlorophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-2-propyl N-(3-chlorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-2-propyl N-(3-chlorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.