tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(methylsulfonyl)carbamate
TL;DR: tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(methylsulfonyl)carbamate (CAS 339018-44-9) is a chemical compound with molecular formula C14H19NO6S and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-methylsulfonylcarbamate
Also Known As: tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(methylsulfonyl)carbamate, 7N-051, tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-methylsulfonylcarbamate, tert-butyl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-methanesulfonylcarbamate, tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-methylsulfonyl-carbamate
| Molecular Formula | C14H19NO6S |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 2.112 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.09332 |
| Heavy Atoms | 22 |
| Complexity | 677.0637 |
Chemical Identifiers
| CAS Number | 339018-44-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N(CC1=CC2=C(C=C1)OCO2)S(=O)(=O)C |
Product Overview
tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(methylsulfonyl)carbamate (CAS 339018-44-9), with molecular formula C14H19NO6S and molecular weight 329.09 g/mol. IUPAC: tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-methylsulfonylcarbamate.
Chemical Property Profile of tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(methylsulfonyl)carbamate
Property Insights of tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(methylsulfonyl)carbamate
The XLogP value of 2.112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(methylsulfonyl)carbamate. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(methylsulfonyl)carbamate. Following Lipinski's Rule of Five, tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(methylsulfonyl)carbamate has 0 hydrogen bond donor(s) and 6 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-(1,3-benzodioxol-5-ylmethyl)-N-(methylsulfonyl)carbamate?
The CAS number of tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(methylsulfonyl)carbamate is 339018-44-9.
What is the molecular formula of tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(methylsulfonyl)carbamate?
The molecular formula of tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(methylsulfonyl)carbamate is C14H19NO6S.
What is the molecular weight of tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(methylsulfonyl)carbamate?
The molecular weight of tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(methylsulfonyl)carbamate is 329.09 g/mol.
Where can I buy tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(methylsulfonyl)carbamate?
You can request a quote for tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-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-(1,3-benzodioxol-5-ylmethyl)-N-(methylsulfonyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(methylsulfonyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.