Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate
TL;DR: Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate (CAS 884-22-0) is a chemical compound with molecular formula C10H9NO3S and molecular weight 223.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methoxy-1,3-benzothiazole-2-carboxylate
Also Known As: methyl 6-methoxy-1,3-benzothiazole-2-carboxylate, Methyl 6-methoxybenzo[d]thiazole-2-carboxylate, methyl 6-methoxybenzothiazole-2-carboxylate, 2-CARBOMETHOXY-6-METHOXYBENZOTHIAZOLE, Methyl6-methoxybenzo[d]thiazole-2-carboxylate
| Molecular Formula | C10H9NO3S |
|---|---|
| Molecular Weight | 223.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.03032 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 884-22-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(S2)C(=O)OC |
| InChIKey | VZOPRRYQDHCORU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate (CAS 884-22-0), with molecular formula C10H9NO3S and molecular weight 223.03 g/mol. IUPAC: methyl 6-methoxy-1,3-benzothiazole-2-carboxylate.
Chemical Property Profile of Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate
Property Insights of Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate. Following Lipinski's Rule of Five, Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate has 0 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 Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate?
The CAS number of Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate is 884-22-0.
What is the molecular formula of Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate?
The molecular formula of Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate is C10H9NO3S.
What is the molecular weight of Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate?
The molecular weight of Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate is 223.03 g/mol.
Where can I buy Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate?
You can request a quote for Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.