1,3-Benzodioxol-5-yl methanesulfonate
TL;DR: 1,3-Benzodioxol-5-yl methanesulfonate (CAS 128612-45-3) is a chemical compound with molecular formula C8H8O5S and molecular weight 216.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl methanesulfonate
Also Known As: 1,3-benzodioxol-5-yl methanesulfonate, 5-(Methylsulfonyloxy)-1,3-benzodioxole, 2H-1,3-BENZODIOXOL-5-YL METHANESULFONATE, J2.899.421D, AO-548/43179671
| Molecular Formula | C8H8O5S |
|---|---|
| Molecular Weight | 216.01 g/mol |
| LogP | 0.7537 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.00925 |
| Heavy Atoms | 14 |
| Complexity | 450.7995 |
Chemical Identifiers
| CAS Number | 128612-45-3 |
|---|---|
| SMILES | CS(=O)(=O)OC1=CC2=C(C=C1)OCO2 |
Product Overview
1,3-Benzodioxol-5-yl methanesulfonate (CAS 128612-45-3), with molecular formula C8H8O5S and molecular weight 216.01 g/mol. IUPAC: 1,3-benzodioxol-5-yl methanesulfonate.
Chemical Property Profile of 1,3-Benzodioxol-5-yl methanesulfonate
Property Insights of 1,3-Benzodioxol-5-yl methanesulfonate
The XLogP value of 0.7537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-5-yl methanesulfonate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxol-5-yl methanesulfonate. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-yl methanesulfonate 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 methanesulfonate?
The CAS number of 1,3-Benzodioxol-5-yl methanesulfonate is 128612-45-3.
What is the molecular formula of 1,3-Benzodioxol-5-yl methanesulfonate?
The molecular formula of 1,3-Benzodioxol-5-yl methanesulfonate is C8H8O5S.
What is the molecular weight of 1,3-Benzodioxol-5-yl methanesulfonate?
The molecular weight of 1,3-Benzodioxol-5-yl methanesulfonate is 216.01 g/mol.
Where can I buy 1,3-Benzodioxol-5-yl methanesulfonate?
You can request a quote for 1,3-Benzodioxol-5-yl methanesulfonate 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 methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.