tert-butyl N-(4-fluorophenyl)-N-(methylsulfonyl)carbamate
TL;DR: tert-butyl N-(4-fluorophenyl)-N-(methylsulfonyl)carbamate (CAS 339105-41-8) is a chemical compound with molecular formula C12H16FNO4S and molecular weight 289.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(4-fluorophenyl)-N-methylsulfonylcarbamate
Also Known As: tert-butyl N-(4-fluorophenyl)-N-(methylsulfonyl)carbamate, Carbamicacid, -,1,1-dimethylethylester, tert-butyl N-(4-fluorophenyl)-N-methylsulfonylcarbamate, tert-Butyl (4-fluorophenyl)(methylsulfonyl)carbamate, tert-butyl N-(4-fluorophenyl)-N-methanesulfonylcarbamate
| Molecular Formula | C12H16FNO4S |
|---|---|
| Molecular Weight | 289.08 g/mol |
| LogP | 2.5268 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.0784 |
| Heavy Atoms | 19 |
| Complexity | 560.3873 |
Chemical Identifiers
| CAS Number | 339105-41-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N(C1=CC=C(C=C1)F)S(=O)(=O)C |
Product Overview
tert-butyl N-(4-fluorophenyl)-N-(methylsulfonyl)carbamate (CAS 339105-41-8), with molecular formula C12H16FNO4S and molecular weight 289.08 g/mol. IUPAC: tert-butyl N-(4-fluorophenyl)-N-methylsulfonylcarbamate.
Chemical Property Profile of tert-butyl N-(4-fluorophenyl)-N-(methylsulfonyl)carbamate
Property Insights of tert-butyl N-(4-fluorophenyl)-N-(methylsulfonyl)carbamate
The XLogP value of 2.5268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(4-fluorophenyl)-N-(methylsulfonyl)carbamate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-(4-fluorophenyl)-N-(methylsulfonyl)carbamate. Following Lipinski's Rule of Five, tert-butyl N-(4-fluorophenyl)-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-fluorophenyl)-N-(methylsulfonyl)carbamate?
The CAS number of tert-butyl N-(4-fluorophenyl)-N-(methylsulfonyl)carbamate is 339105-41-8.
What is the molecular formula of tert-butyl N-(4-fluorophenyl)-N-(methylsulfonyl)carbamate?
The molecular formula of tert-butyl N-(4-fluorophenyl)-N-(methylsulfonyl)carbamate is C12H16FNO4S.
What is the molecular weight of tert-butyl N-(4-fluorophenyl)-N-(methylsulfonyl)carbamate?
The molecular weight of tert-butyl N-(4-fluorophenyl)-N-(methylsulfonyl)carbamate is 289.08 g/mol.
Where can I buy tert-butyl N-(4-fluorophenyl)-N-(methylsulfonyl)carbamate?
You can request a quote for tert-butyl N-(4-fluorophenyl)-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-fluorophenyl)-N-(methylsulfonyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(4-fluorophenyl)-N-(methylsulfonyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.