Benzenemethanesulfonic acid, alpha-hydroxy-4-methoxy-
TL;DR: Benzenemethanesulfonic acid, alpha-hydroxy-4-methoxy- (CAS 81-12-9) is a chemical compound with molecular formula C8H10O5S and molecular weight 218.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hydroxy-(4-methoxyphenyl)methanesulfonic acid
Also Known As: p-Anisaldehyde bisulfite, sodium salt, Benzenemethanesulfonic acid, alpha-hydroxy-4-methoxy-, hydroxy-(4-methoxyphenyl)methanesulfonic acid, Benzenemethanesulfonic acid, .alpha.-hydroxy-4-methoxy-, alpha-hydroxy-p-methoxytoluen-alpha-sulfonsyre
| Molecular Formula | C8H10O5S |
|---|---|
| Molecular Weight | 218.02 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.02489 |
| Heavy Atoms | 14 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 81-12-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(O)S(=O)(=O)O |
| InChIKey | NDMUEXKPRHMWRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenemethanesulfonic acid, alpha-hydroxy-4-methoxy- (CAS 81-12-9), with molecular formula C8H10O5S and molecular weight 218.02 g/mol. IUPAC: hydroxy-(4-methoxyphenyl)methanesulfonic acid.
Chemical Property Profile of Benzenemethanesulfonic acid, alpha-hydroxy-4-methoxy-
Property Insights of Benzenemethanesulfonic acid, alpha-hydroxy-4-methoxy-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanesulfonic acid, alpha-hydroxy-4-methoxy-. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanesulfonic acid, alpha-hydroxy-4-methoxy-. Following Lipinski's Rule of Five, Benzenemethanesulfonic acid, alpha-hydroxy-4-methoxy- has 2 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 Benzenemethanesulfonic acid, alpha-hydroxy-4-methoxy-?
The CAS number of Benzenemethanesulfonic acid, alpha-hydroxy-4-methoxy- is 81-12-9.
What is the molecular formula of Benzenemethanesulfonic acid, alpha-hydroxy-4-methoxy-?
The molecular formula of Benzenemethanesulfonic acid, alpha-hydroxy-4-methoxy- is C8H10O5S.
What is the molecular weight of Benzenemethanesulfonic acid, alpha-hydroxy-4-methoxy-?
The molecular weight of Benzenemethanesulfonic acid, alpha-hydroxy-4-methoxy- is 218.02 g/mol.
Where can I buy Benzenemethanesulfonic acid, alpha-hydroxy-4-methoxy-?
You can request a quote for Benzenemethanesulfonic acid, alpha-hydroxy-4-methoxy- 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-hydroxy-4-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanesulfonic acid, alpha-hydroxy-4-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.