Sufotidine
TL;DR: Sufotidine (CAS 80343-63-1) is a chemical compound with molecular formula C20H31N5O3S and molecular weight 421.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-(methylsulfonylmethyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazol-3-amine
Also Known As: Sufotidine, Sufotidina, Sufotidinum, Sufotidinum [Latin], Sufotidina [Spanish]
| Molecular Formula | C20H31N5O3S |
|---|---|
| Molecular Weight | 421.21 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 421.21475 |
| Heavy Atoms | 29 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 80343-63-1 |
|---|---|
| SMILES | CN1C(=NC(=N1)CS(=O)(=O)C)NCCCOC2=CC=CC(=C2)CN3CCCCC3 |
| InChIKey | JEYKZWRXDALMNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sufotidine (CAS 80343-63-1), with molecular formula C20H31N5O3S and molecular weight 421.21 g/mol. IUPAC: 2-methyl-5-(methylsulfonylmethyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazol-3-amine.
Chemical Property Profile of Sufotidine
Property Insights of Sufotidine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sufotidine. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Sufotidine. Following Lipinski's Rule of Five, Sufotidine has 1 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 Sufotidine?
The CAS number of Sufotidine is 80343-63-1.
What is the molecular formula of Sufotidine?
The molecular formula of Sufotidine is C20H31N5O3S.
What is the molecular weight of Sufotidine?
The molecular weight of Sufotidine is 421.21 g/mol.
Where can I buy Sufotidine?
You can request a quote for Sufotidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sufotidine?
Yes, KEHONG BIO provides custom synthesis services for Sufotidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.