Isomazole Hydrochloride
TL;DR: Isomazole Hydrochloride (CAS 87359-33-9) is a chemical compound with molecular formula C14H14ClN3O2S and molecular weight 323.05 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;hydrochloride
Also Known As: ISOMAZOLE HYDROCHLORIDE, Isomazole HCl, ISOMAZOLE, Isomazole (hydrochloride), Isomazole hydrochloride [USAN]
| Molecular Formula | C14H14ClN3O2S |
|---|---|
| Molecular Weight | 323.05 g/mol |
| LogP | 2.79 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.04953 |
| Heavy Atoms | 21 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 87359-33-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=NC=C3.Cl |
| InChIKey | OJDNVOWLGHYRPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isomazole Hydrochloride (CAS 87359-33-9), with molecular formula C14H14ClN3O2S and molecular weight 323.05 g/mol. IUPAC: 2-(2-methoxy-4-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride.
Chemical Property Profile of Isomazole Hydrochloride
Property Insights of Isomazole Hydrochloride
The XLogP value of 2.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isomazole Hydrochloride. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Isomazole Hydrochloride. Following Lipinski's Rule of Five, Isomazole Hydrochloride 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 Isomazole Hydrochloride?
The CAS number of Isomazole Hydrochloride is 87359-33-9.
What is the molecular formula of Isomazole Hydrochloride?
The molecular formula of Isomazole Hydrochloride is C14H14ClN3O2S.
What is the molecular weight of Isomazole Hydrochloride?
The molecular weight of Isomazole Hydrochloride is 323.05 g/mol.
Where can I buy Isomazole Hydrochloride?
You can request a quote for Isomazole Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomazole Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isomazole Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.