tert-butyl N-(4-chlorobenzyl)-N-(methylsulfonyl)carbamate
TL;DR: tert-butyl N-(4-chlorobenzyl)-N-(methylsulfonyl)carbamate (CAS 204857-35-2) is a chemical compound with molecular formula C13H18ClNO4S and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(4-chlorophenyl)methyl]-N-methylsulfonylcarbamate
Also Known As: tert-butyl N-(4-chlorobenzyl)-N-(methylsulfonyl)carbamate, tert-butyl N-[(4-chlorophenyl)methyl]-N-methanesulfonylcarbamate, tert-butyl N-[(4-chlorophenyl)methyl]-N-methylsulfonylcarbamate, t-Butyl N-(4-chlorobenZyl)-N-(methylsulfonyl)carbamate, n-(tert-butoxycarbonyl)-n-(4-chlorobenzyl)-methanesulfonamide
| Molecular Formula | C13H18ClNO4S |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 3.0367 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.0645 |
| Heavy Atoms | 20 |
| Complexity | 575.38385 |
Chemical Identifiers
| CAS Number | 204857-35-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)Cl)S(=O)(=O)C |
Product Overview
tert-butyl N-(4-chlorobenzyl)-N-(methylsulfonyl)carbamate (CAS 204857-35-2), with molecular formula C13H18ClNO4S and molecular weight 319.06 g/mol. IUPAC: tert-butyl N-[(4-chlorophenyl)methyl]-N-methylsulfonylcarbamate.
Chemical Property Profile of tert-butyl N-(4-chlorobenzyl)-N-(methylsulfonyl)carbamate
Property Insights of tert-butyl N-(4-chlorobenzyl)-N-(methylsulfonyl)carbamate
The XLogP value of 3.0367 indicates that tert-butyl N-(4-chlorobenzyl)-N-(methylsulfonyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-(4-chlorobenzyl)-N-(methylsulfonyl)carbamate. Following Lipinski's Rule of Five, tert-butyl N-(4-chlorobenzyl)-N-(methylsulfonyl)carbamate has 0 hydrogen bond donor(s) and 4 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-(4-chlorobenzyl)-N-(methylsulfonyl)carbamate?
The CAS number of tert-butyl N-(4-chlorobenzyl)-N-(methylsulfonyl)carbamate is 204857-35-2.
What is the molecular formula of tert-butyl N-(4-chlorobenzyl)-N-(methylsulfonyl)carbamate?
The molecular formula of tert-butyl N-(4-chlorobenzyl)-N-(methylsulfonyl)carbamate is C13H18ClNO4S.
What is the molecular weight of tert-butyl N-(4-chlorobenzyl)-N-(methylsulfonyl)carbamate?
The molecular weight of tert-butyl N-(4-chlorobenzyl)-N-(methylsulfonyl)carbamate is 319.06 g/mol.
Where can I buy tert-butyl N-(4-chlorobenzyl)-N-(methylsulfonyl)carbamate?
You can request a quote for tert-butyl N-(4-chlorobenzyl)-N-(methylsulfonyl)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-(4-chlorobenzyl)-N-(methylsulfonyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(4-chlorobenzyl)-N-(methylsulfonyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.