α-羟基吡啶-3-甲磺酸
TL;DR: α-羟基吡啶-3-甲磺酸 (CAS 4812-14-0) is a chemical compound with molecular formula C6H7NO4S and molecular weight 189.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-羟基吡啶-3-甲磺酸
hydroxy(pyridin-3-yl)methanesulfonic acid
Also Known As: alpha-Hydroxypyridine-3-methanesulphonic acid, hydroxy(pyridin-3-yl)methanesulfonic acid, 3-pyridyl(hydroxy)methanesulfonic acid, 3-pyridinemethanesulfonic acid,, A-hydroxy-
| Molecular Formula | C6H7NO4S |
|---|---|
| Molecular Weight | 189.01 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.00958 |
| Heavy Atoms | 12 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 4812-14-0 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(O)S(=O)(=O)O |
| InChIKey | FPOVRMNPSROFGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-羟基吡啶-3-甲磺酸 (CAS 4812-14-0), with molecular formula C6H7NO4S and molecular weight 189.01 g/mol. IUPAC: hydroxy(pyridin-3-yl)methanesulfonic acid.
Chemical Property Profile of α-羟基吡啶-3-甲磺酸
Property Insights of α-羟基吡啶-3-甲磺酸
The XLogP value of -1.0 indicates that α-羟基吡啶-3-甲磺酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for α-羟基吡啶-3-甲磺酸. Following Lipinski's Rule of Five, α-羟基吡啶-3-甲磺酸 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 α-羟基吡啶-3-甲磺酸?
The CAS number of α-羟基吡啶-3-甲磺酸 is 4812-14-0.
What is the molecular formula of α-羟基吡啶-3-甲磺酸?
The molecular formula of α-羟基吡啶-3-甲磺酸 is C6H7NO4S.
What is the molecular weight of α-羟基吡啶-3-甲磺酸?
The molecular weight of α-羟基吡啶-3-甲磺酸 is 189.01 g/mol.
Where can I buy α-羟基吡啶-3-甲磺酸?
You can request a quote for α-羟基吡啶-3-甲磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-羟基吡啶-3-甲磺酸?
Yes, KEHONG BIO provides custom synthesis services for α-羟基吡啶-3-甲磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.