tert-Butyl 2-chlorophenylcarbamate
TL;DR: tert-Butyl 2-chlorophenylcarbamate (CAS 35426-69-8) 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.
tert-butyl N-(2-chlorophenyl)carbamate
Also Known As: tert-Butyl 2-chlorophenylcarbamate, 9-Acridinmethanol, tert-butyl (2-chlorophenyl)carbamate, N-Boc-2-chloroaniline, tert-butyl N-(2-chlorophenyl)carbamate
| Molecular Formula | C11H14ClNO2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.0713 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 35426-69-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC=CC=C1Cl |
| InChIKey | LLDDCZFFWXSEFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl 2-chlorophenylcarbamate (CAS 35426-69-8), with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol. IUPAC: tert-butyl N-(2-chlorophenyl)carbamate.
Chemical Property Profile of tert-Butyl 2-chlorophenylcarbamate
Property Insights of tert-Butyl 2-chlorophenylcarbamate
The XLogP value of 3.1 indicates that tert-Butyl 2-chlorophenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, tert-Butyl 2-chlorophenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2-chlorophenylcarbamate 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 tert-Butyl 2-chlorophenylcarbamate?
The CAS number of tert-Butyl 2-chlorophenylcarbamate is 35426-69-8.
What is the molecular formula of tert-Butyl 2-chlorophenylcarbamate?
The molecular formula of tert-Butyl 2-chlorophenylcarbamate is C11H14ClNO2.
What is the molecular weight of tert-Butyl 2-chlorophenylcarbamate?
The molecular weight of tert-Butyl 2-chlorophenylcarbamate is 227.07 g/mol.
Where can I buy tert-Butyl 2-chlorophenylcarbamate?
You can request a quote for tert-Butyl 2-chlorophenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 2-chlorophenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2-chlorophenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.