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Methyl benzo[d]thiazole-6-carboxylate
TL;DR: Methyl benzo[d]thiazole-6-carboxylate (CAS 73931-63-2) is a chemical compound with molecular formula C9H7NO2S and molecular weight 193.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,3-benzothiazole-6-carboxylate
Also Known As: Methyl benzo[d]thiazole-6-carboxylate, Methyl 1,3-benzothiazole-6-carboxylate, Methyl benzothiazole-6-carboxylate, Methylbenzo[d]thiazole-6-carboxylate, 6-Benzothiazolecarboxylic acid methyl ester
| Molecular Formula | C9H7NO2S |
|---|---|
| Molecular Weight | 193.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.01974 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 73931-63-2 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)N=CS2 |
| InChIKey | ISXQEAJOCDXKAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl benzo[d]thiazole-6-carboxylate (CAS 73931-63-2), with molecular formula C9H7NO2S and molecular weight 193.02 g/mol. IUPAC: methyl 1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of Methyl benzo[d]thiazole-6-carboxylate
Property Insights of Methyl benzo[d]thiazole-6-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl benzo[d]thiazole-6-carboxylate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl benzo[d]thiazole-6-carboxylate. Following Lipinski's Rule of Five, Methyl benzo[d]thiazole-6-carboxylate has 0 hydrogen bond donor(s) and 4 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 Methyl benzo[d]thiazole-6-carboxylate?
The CAS number of Methyl benzo[d]thiazole-6-carboxylate is 73931-63-2.
What is the molecular formula of Methyl benzo[d]thiazole-6-carboxylate?
The molecular formula of Methyl benzo[d]thiazole-6-carboxylate is C9H7NO2S.
What is the molecular weight of Methyl benzo[d]thiazole-6-carboxylate?
The molecular weight of Methyl benzo[d]thiazole-6-carboxylate is 193.02 g/mol.
Where can I buy Methyl benzo[d]thiazole-6-carboxylate?
You can request a quote for Methyl benzo[d]thiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl benzo[d]thiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl benzo[d]thiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.