Isomazole
TL;DR: Isomazole (CAS 86315-52-8) is a chemical compound with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methoxy-4-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine
Also Known As: ISOMAZOLE, Isosulmazole, Isomazol, Isomazolum, Isomazole [INN]
| Molecular Formula | C14H13N3O2S |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.07285 |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 86315-52-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=NC=C3 |
| InChIKey | JQUKCPUPFALELS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isomazole (CAS 86315-52-8), with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol. IUPAC: 2-(2-methoxy-4-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine.
Chemical Property Profile of Isomazole
Property Insights of Isomazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isomazole. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Isomazole. Following Lipinski's Rule of Five, Isomazole 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 Isomazole?
The CAS number of Isomazole is 86315-52-8.
What is the molecular formula of Isomazole?
The molecular formula of Isomazole is C14H13N3O2S.
What is the molecular weight of Isomazole?
The molecular weight of Isomazole is 287.07 g/mol.
Where can I buy Isomazole?
You can request a quote for Isomazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomazole?
Yes, KEHONG BIO provides custom synthesis services for Isomazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.