n-Methylthiabendazole
TL;DR: n-Methylthiabendazole (CAS 32594-70-0) is a chemical compound with molecular formula C11H9N3S and molecular weight 215.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-methylbenzimidazol-2-yl)-1,3-thiazole
Also Known As: n-Methylthiabendazole, N-Methyl thiabendazole, 2H-Benzimidazole, 1-methyl-2-(4-thiazolyl)-, 1-methyl-2-thiazol-4-yl-1H-benzoimidazole, 1-Methyl-2-(4-thiazolyl)-1H-benzimidazole
| Molecular Formula | C11H9N3S |
|---|---|
| Molecular Weight | 215.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.05171 |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 32594-70-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1C3=CSC=N3 |
| InChIKey | CSAHSZPPHOXJAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Methylthiabendazole (CAS 32594-70-0), with molecular formula C11H9N3S and molecular weight 215.05 g/mol. IUPAC: 4-(1-methylbenzimidazol-2-yl)-1,3-thiazole.
Chemical Property Profile of n-Methylthiabendazole
Property Insights of n-Methylthiabendazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Methylthiabendazole. With a topological polar surface area (TPSA) of 59.0 Ų, n-Methylthiabendazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Methylthiabendazole has 0 hydrogen bond donor(s) and 3 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 n-Methylthiabendazole?
The CAS number of n-Methylthiabendazole is 32594-70-0.
What is the molecular formula of n-Methylthiabendazole?
The molecular formula of n-Methylthiabendazole is C11H9N3S.
What is the molecular weight of n-Methylthiabendazole?
The molecular weight of n-Methylthiabendazole is 215.05 g/mol.
Where can I buy n-Methylthiabendazole?
You can request a quote for n-Methylthiabendazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Methylthiabendazole?
Yes, KEHONG BIO provides custom synthesis services for n-Methylthiabendazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.