(4-Chloro-2-cyano-phenyl)-carbamic acid tert-butyl ester
TL;DR: (4-Chloro-2-cyano-phenyl)-carbamic acid tert-butyl ester (CAS 885964-73-8) is a chemical compound with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(4-chloro-2-cyanophenyl)carbamate
Also Known As: (4-Chloro-2-cyano-phenyl)-carbamic acid tert-butyl ester, tert-butyl N-(4-chloro-2-cyanophenyl)carbamate, -CARBAMICACIDTERT-BUTYLESTER, tert-Butyl (4-chloro-2-cyanophenyl)carbamate, Tert-butyl N-(4-chloro-2-cyano-phenyl)carbamate
| Molecular Formula | C12H13ClN2O2 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 3.55868 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.06656 |
| Heavy Atoms | 17 |
| Complexity | 472.37445 |
Chemical Identifiers
| CAS Number | 885964-73-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=C(C=C(C=C1)Cl)C#N |
Product Overview
(4-Chloro-2-cyano-phenyl)-carbamic acid tert-butyl ester (CAS 885964-73-8), with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol. IUPAC: tert-butyl N-(4-chloro-2-cyanophenyl)carbamate.
Chemical Property Profile of (4-Chloro-2-cyano-phenyl)-carbamic acid tert-butyl ester
Property Insights of (4-Chloro-2-cyano-phenyl)-carbamic acid tert-butyl ester
The XLogP value of 3.55868 indicates that (4-Chloro-2-cyano-phenyl)-carbamic acid tert-butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Chloro-2-cyano-phenyl)-carbamic acid tert-butyl ester. Following Lipinski's Rule of Five, (4-Chloro-2-cyano-phenyl)-carbamic acid tert-butyl ester 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 (4-Chloro-2-cyano-phenyl)-carbamic acid tert-butyl ester?
The CAS number of (4-Chloro-2-cyano-phenyl)-carbamic acid tert-butyl ester is 885964-73-8.
What is the molecular formula of (4-Chloro-2-cyano-phenyl)-carbamic acid tert-butyl ester?
The molecular formula of (4-Chloro-2-cyano-phenyl)-carbamic acid tert-butyl ester is C12H13ClN2O2.
What is the molecular weight of (4-Chloro-2-cyano-phenyl)-carbamic acid tert-butyl ester?
The molecular weight of (4-Chloro-2-cyano-phenyl)-carbamic acid tert-butyl ester is 252.07 g/mol.
Where can I buy (4-Chloro-2-cyano-phenyl)-carbamic acid tert-butyl ester?
You can request a quote for (4-Chloro-2-cyano-phenyl)-carbamic acid tert-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chloro-2-cyano-phenyl)-carbamic acid tert-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for (4-Chloro-2-cyano-phenyl)-carbamic acid tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.