Azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid
TL;DR: Azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid (CAS 68083-32-9) is a chemical compound with molecular formula C8H11NO6S and molecular weight 249.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid
Also Known As: ammonium 1,3-benzodioxol-5-yl(hydroxy)methanesulfonate, azane; 1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid, alpha-Hydroxy-1,3-benzodioxole-5-methanesulfonic acid, monoammonium salt, 1,3-Benzodioxole-5-methanesulfonic acid, alpha-hydroxy-, monoammonium salt, 1,3-Benzodioxole-5-methanesulfonic acid, alpha-hydroxy-, ammonium salt (1:1)
| Molecular Formula | C8H11NO6S |
|---|---|
| Molecular Weight | 249.03 g/mol |
| LogP | 0.46 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.0307 |
| Heavy Atoms | 16 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 68083-32-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(O)S(=O)(=O)O.N |
| InChIKey | UBQSTNGNLZCTBX-UHFFFAOYSA-N |
Product Overview
Azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid (CAS 68083-32-9), with molecular formula C8H11NO6S and molecular weight 249.03 g/mol. IUPAC: azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid.
Chemical Property Profile of Azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid
Property Insights of Azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid
The XLogP value of 0.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid. Following Lipinski's Rule of Five, Azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid has 3 hydrogen bond donor(s) and 7 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 Azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid?
The CAS number of Azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid is 68083-32-9.
What is the molecular formula of Azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid?
The molecular formula of Azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid is C8H11NO6S.
What is the molecular weight of Azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid?
The molecular weight of Azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid is 249.03 g/mol.
Where can I buy Azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid?
You can request a quote for Azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for Azane;1,3-benzodioxol-5-yl(hydroxy)methanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.