tert-butyl N-(4-methylbenzyl)-N-(methylsulfonyl)carbamate
TL;DR: tert-butyl N-(4-methylbenzyl)-N-(methylsulfonyl)carbamate (CAS 338415-72-8) is a chemical compound with molecular formula C14H21NO4S and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(4-methylphenyl)methyl]-N-methylsulfonylcarbamate
Also Known As: tert-butyl N-(4-methylbenzyl)-N-(methylsulfonyl)carbamate, tert-butyl N-methanesulfonyl-N-[(4-methylphenyl)methyl]carbamate, 3N-020, tert-butyl N-[(4-methylphenyl)methyl]-N-methylsulfonylcarbamate, tert-butyl N-methylsulfonyl-N-(p-tolylmethyl)carbamate
| Molecular Formula | C14H21NO4S |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 2.69172 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.11914 |
| Heavy Atoms | 20 |
| Complexity | 570.18665 |
Chemical Identifiers
| CAS Number | 338415-72-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN(C(=O)OC(C)(C)C)S(=O)(=O)C |
Product Overview
tert-butyl N-(4-methylbenzyl)-N-(methylsulfonyl)carbamate (CAS 338415-72-8), with molecular formula C14H21NO4S and molecular weight 299.12 g/mol. IUPAC: tert-butyl N-[(4-methylphenyl)methyl]-N-methylsulfonylcarbamate.
Chemical Property Profile of tert-butyl N-(4-methylbenzyl)-N-(methylsulfonyl)carbamate
Property Insights of tert-butyl N-(4-methylbenzyl)-N-(methylsulfonyl)carbamate
The XLogP value of 2.69172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(4-methylbenzyl)-N-(methylsulfonyl)carbamate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-(4-methylbenzyl)-N-(methylsulfonyl)carbamate. Following Lipinski's Rule of Five, tert-butyl N-(4-methylbenzyl)-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-methylbenzyl)-N-(methylsulfonyl)carbamate?
The CAS number of tert-butyl N-(4-methylbenzyl)-N-(methylsulfonyl)carbamate is 338415-72-8.
What is the molecular formula of tert-butyl N-(4-methylbenzyl)-N-(methylsulfonyl)carbamate?
The molecular formula of tert-butyl N-(4-methylbenzyl)-N-(methylsulfonyl)carbamate is C14H21NO4S.
What is the molecular weight of tert-butyl N-(4-methylbenzyl)-N-(methylsulfonyl)carbamate?
The molecular weight of tert-butyl N-(4-methylbenzyl)-N-(methylsulfonyl)carbamate is 299.12 g/mol.
Where can I buy tert-butyl N-(4-methylbenzyl)-N-(methylsulfonyl)carbamate?
You can request a quote for tert-butyl N-(4-methylbenzyl)-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-methylbenzyl)-N-(methylsulfonyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(4-methylbenzyl)-N-(methylsulfonyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.