tert-butyl N-(3-chloro-2-methylphenyl)carbamate
TL;DR: tert-butyl N-(3-chloro-2-methylphenyl)carbamate (CAS 129822-39-5) is a chemical compound with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(3-chloro-2-methylphenyl)carbamate
Also Known As: tert-butyl N-(3-chloro-2-methylphenyl)carbamate, tert-Butyl 3-Chloro-2-methylphenylcarbamate, tert-butyl (3-chloro-2-methylphenyl)carbamate, 1-(Boc-amino)-3-chloro-2-methylbenzene, tert-butyl(3-chloro-2-methylphenyl)carbamate
| Molecular Formula | C12H16ClNO2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 3.99542 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.08696 |
| Heavy Atoms | 16 |
| Complexity | 396.4955 |
Chemical Identifiers
| CAS Number | 129822-39-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)OC(C)(C)C |
Product Overview
tert-butyl N-(3-chloro-2-methylphenyl)carbamate (CAS 129822-39-5), with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol. IUPAC: tert-butyl N-(3-chloro-2-methylphenyl)carbamate.
Chemical Property Profile of tert-butyl N-(3-chloro-2-methylphenyl)carbamate
Property Insights of tert-butyl N-(3-chloro-2-methylphenyl)carbamate
The XLogP value of 3.99542 indicates that tert-butyl N-(3-chloro-2-methylphenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, tert-butyl N-(3-chloro-2-methylphenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl N-(3-chloro-2-methylphenyl)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 tert-butyl N-(3-chloro-2-methylphenyl)carbamate?
The CAS number of tert-butyl N-(3-chloro-2-methylphenyl)carbamate is 129822-39-5.
What is the molecular formula of tert-butyl N-(3-chloro-2-methylphenyl)carbamate?
The molecular formula of tert-butyl N-(3-chloro-2-methylphenyl)carbamate is C12H16ClNO2.
What is the molecular weight of tert-butyl N-(3-chloro-2-methylphenyl)carbamate?
The molecular weight of tert-butyl N-(3-chloro-2-methylphenyl)carbamate is 241.09 g/mol.
Where can I buy tert-butyl N-(3-chloro-2-methylphenyl)carbamate?
You can request a quote for tert-butyl N-(3-chloro-2-methylphenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-(3-chloro-2-methylphenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(3-chloro-2-methylphenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.