Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, ammonium salt (1:1)
TL;DR: Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, ammonium salt (1:1) (CAS 68083-34-1) is a chemical compound with molecular formula C8H13NO6S and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;hydroxy-(4-hydroxy-3-methoxyphenyl)methanesulfonic acid
Also Known As: Ammonium alpha,4-dihydroxy-3-methoxytoluene-alpha-sulphonate, alpha,4-Dihydroxy-3-methoxybenzenemethansulfonic acid, monoammonium salt, Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, monoammonium salt, Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, ammonium salt (1:1), Ammonium alpha,4-dihydroxy-3-methoxytoluene-alpha-sulfonate
| Molecular Formula | C8H13NO6S |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 0.44 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.04636 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 68083-34-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(O)S(=O)(=O)O)O.N |
| InChIKey | IGYBFDGRKFLPOS-UHFFFAOYSA-N |
Product Overview
Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, ammonium salt (1:1) (CAS 68083-34-1), with molecular formula C8H13NO6S and molecular weight 251.05 g/mol. IUPAC: azane;hydroxy-(4-hydroxy-3-methoxyphenyl)methanesulfonic acid.
Chemical Property Profile of Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, ammonium salt (1:1)
Property Insights of Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, ammonium salt (1:1)
The XLogP value of 0.44 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, ammonium salt (1:1). The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, ammonium salt (1:1). Following Lipinski's Rule of Five, Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, ammonium salt (1:1) has 4 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 Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, ammonium salt (1:1)?
The CAS number of Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, ammonium salt (1:1) is 68083-34-1.
What is the molecular formula of Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, ammonium salt (1:1)?
The molecular formula of Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, ammonium salt (1:1) is C8H13NO6S.
What is the molecular weight of Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, ammonium salt (1:1)?
The molecular weight of Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, ammonium salt (1:1) is 251.05 g/mol.
Where can I buy Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, ammonium salt (1:1)?
You can request a quote for Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, ammonium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, ammonium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-, ammonium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.