Disuprazole
TL;DR: Disuprazole (CAS 99499-40-8) is a chemical compound with molecular formula C16H17N3OS2 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
Also Known As: Disuprazole, Disuprazolum, Disuprozol, disuprazol, Disuprazole [INN]
| Molecular Formula | C16H17N3OS2 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.0813 |
| Heavy Atoms | 22 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 99499-40-8 |
|---|---|
| SMILES | CCSC1=C(C(=NC=C1)CS(=O)C2=NC3=CC=CC=C3N2)C |
| InChIKey | YWQUFKJVMWHDSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Disuprazole (CAS 99499-40-8), with molecular formula C16H17N3OS2 and molecular weight 331.08 g/mol. IUPAC: 2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole.
Chemical Property Profile of Disuprazole
Property Insights of Disuprazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Disuprazole. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Disuprazole. Following Lipinski's Rule of Five, Disuprazole has 1 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 Disuprazole?
The CAS number of Disuprazole is 99499-40-8.
What is the molecular formula of Disuprazole?
The molecular formula of Disuprazole is C16H17N3OS2.
What is the molecular weight of Disuprazole?
The molecular weight of Disuprazole is 331.08 g/mol.
Where can I buy Disuprazole?
You can request a quote for Disuprazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disuprazole?
Yes, KEHONG BIO provides custom synthesis services for Disuprazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.