吡硫醇
TL;DR: 吡硫醇 (CAS 1098-97-1) is a chemical compound with molecular formula C16H20N2O4S2 and molecular weight 368.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡硫醇
5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
Also Known As: Pyrithioxin, PYRITINOL, Pyrithioxine, Encefabol, Piritinol
| Molecular Formula | C16H20N2O4S2 |
|---|---|
| Molecular Weight | 368.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.08646 |
| Heavy Atoms | 24 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 1098-97-1 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C |
| InChIKey | SIXLXDIJGIWWFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吡硫醇 (CAS 1098-97-1), with molecular formula C16H20N2O4S2 and molecular weight 368.09 g/mol. IUPAC: 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol.
Chemical Property Profile of 吡硫醇
Property Insights of 吡硫醇
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吡硫醇. The TPSA of 157.0 Ų indicates high polarity, suggesting 吡硫醇 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 吡硫醇 has 4 hydrogen bond donor(s) and 8 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 吡硫醇?
The CAS number of 吡硫醇 is 1098-97-1.
What is the molecular formula of 吡硫醇?
The molecular formula of 吡硫醇 is C16H20N2O4S2.
What is the molecular weight of 吡硫醇?
The molecular weight of 吡硫醇 is 368.09 g/mol.
Where can I buy 吡硫醇?
You can request a quote for 吡硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡硫醇?
Yes, KEHONG BIO provides custom synthesis services for 吡硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.