tert-butyl N-(methylsulfonyl)-N-(2-thienylmethyl)carbamate
TL;DR: tert-butyl N-(methylsulfonyl)-N-(2-thienylmethyl)carbamate (CAS 339018-39-2) is a chemical compound with molecular formula C11H17NO4S2 and molecular weight 291.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-methylsulfonyl-N-(thiophen-2-ylmethyl)carbamate
Also Known As: tert-butyl N-(methylsulfonyl)-N-(2-thienylmethyl)carbamate, 7N-044, tert-butyl N-methylsulfonyl-N-(thiophen-2-ylmethyl)carbamate, tert-butyl N-methanesulfonyl-N-[(thiophen-2-yl)methyl]carbamate, tert-butylN-methanesulfonyl-N-[(thiophen-2-yl)methyl]carbamate
| Molecular Formula | C11H17NO4S2 |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 2.4448 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.0599 |
| Heavy Atoms | 18 |
| Complexity | 499.64557 |
Chemical Identifiers
| CAS Number | 339018-39-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N(CC1=CC=CS1)S(=O)(=O)C |
Product Overview
tert-butyl N-(methylsulfonyl)-N-(2-thienylmethyl)carbamate (CAS 339018-39-2), with molecular formula C11H17NO4S2 and molecular weight 291.06 g/mol. IUPAC: tert-butyl N-methylsulfonyl-N-(thiophen-2-ylmethyl)carbamate.
Chemical Property Profile of tert-butyl N-(methylsulfonyl)-N-(2-thienylmethyl)carbamate
Property Insights of tert-butyl N-(methylsulfonyl)-N-(2-thienylmethyl)carbamate
The XLogP value of 2.4448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(methylsulfonyl)-N-(2-thienylmethyl)carbamate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-(methylsulfonyl)-N-(2-thienylmethyl)carbamate. Following Lipinski's Rule of Five, tert-butyl N-(methylsulfonyl)-N-(2-thienylmethyl)carbamate has 0 hydrogen bond donor(s) and 5 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-(methylsulfonyl)-N-(2-thienylmethyl)carbamate?
The CAS number of tert-butyl N-(methylsulfonyl)-N-(2-thienylmethyl)carbamate is 339018-39-2.
What is the molecular formula of tert-butyl N-(methylsulfonyl)-N-(2-thienylmethyl)carbamate?
The molecular formula of tert-butyl N-(methylsulfonyl)-N-(2-thienylmethyl)carbamate is C11H17NO4S2.
What is the molecular weight of tert-butyl N-(methylsulfonyl)-N-(2-thienylmethyl)carbamate?
The molecular weight of tert-butyl N-(methylsulfonyl)-N-(2-thienylmethyl)carbamate is 291.06 g/mol.
Where can I buy tert-butyl N-(methylsulfonyl)-N-(2-thienylmethyl)carbamate?
You can request a quote for tert-butyl N-(methylsulfonyl)-N-(2-thienylmethyl)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-(methylsulfonyl)-N-(2-thienylmethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(methylsulfonyl)-N-(2-thienylmethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.