1,3-benzodioxol-5-yl N,N-dimethylsulfamate
TL;DR: 1,3-benzodioxol-5-yl N,N-dimethylsulfamate (CAS 890601-13-5) is a chemical compound with molecular formula C9H11NO5S and molecular weight 245.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl N,N-dimethylsulfamate
Also Known As: 1,3-benzodioxol-5-yl dimethylsulfamate, 1,3-benzodioxol-5-yl N,N-dimethylsulfamate, benzo[d][1,3]dioxol-5-yl dimethylsulfamate, VU0606141-1, F3230-0167
| Molecular Formula | C9H11NO5S |
|---|---|
| Molecular Weight | 245.04 g/mol |
| LogP | 0.6005 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.0358 |
| Heavy Atoms | 16 |
| Complexity | 496.62085 |
Chemical Identifiers
| CAS Number | 890601-13-5 |
|---|---|
| SMILES | CN(C)S(=O)(=O)OC1=CC2=C(C=C1)OCO2 |
Product Overview
1,3-benzodioxol-5-yl N,N-dimethylsulfamate (CAS 890601-13-5), with molecular formula C9H11NO5S and molecular weight 245.04 g/mol. IUPAC: 1,3-benzodioxol-5-yl N,N-dimethylsulfamate.
Chemical Property Profile of 1,3-benzodioxol-5-yl N,N-dimethylsulfamate
Property Insights of 1,3-benzodioxol-5-yl N,N-dimethylsulfamate
The XLogP value of 0.6005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-benzodioxol-5-yl N,N-dimethylsulfamate. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-benzodioxol-5-yl N,N-dimethylsulfamate. Following Lipinski's Rule of Five, 1,3-benzodioxol-5-yl N,N-dimethylsulfamate 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 1,3-benzodioxol-5-yl N,N-dimethylsulfamate?
The CAS number of 1,3-benzodioxol-5-yl N,N-dimethylsulfamate is 890601-13-5.
What is the molecular formula of 1,3-benzodioxol-5-yl N,N-dimethylsulfamate?
The molecular formula of 1,3-benzodioxol-5-yl N,N-dimethylsulfamate is C9H11NO5S.
What is the molecular weight of 1,3-benzodioxol-5-yl N,N-dimethylsulfamate?
The molecular weight of 1,3-benzodioxol-5-yl N,N-dimethylsulfamate is 245.04 g/mol.
Where can I buy 1,3-benzodioxol-5-yl N,N-dimethylsulfamate?
You can request a quote for 1,3-benzodioxol-5-yl N,N-dimethylsulfamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-benzodioxol-5-yl N,N-dimethylsulfamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-benzodioxol-5-yl N,N-dimethylsulfamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.