6-Methoxy-1,3-benzothiazole-2-carboxylate
TL;DR: 6-Methoxy-1,3-benzothiazole-2-carboxylate (CAS 681281-67-4) is a chemical compound with molecular formula C9H6NO3S- and molecular weight 208.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-1,3-benzothiazole-2-carboxylate
Also Known As: C9H6NO3S-, 6-methoxy-1,3-benzothiazole-2-carboxylate, 6-methoxybenzothiazole-2-carboxylic acid, BAS 00345547, 6-Methoxybenzothiazole-2-carboxylic acid anionsodium salt
| Molecular Formula | C9H6NO3S- |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 0.6684 |
| Topological Polar Surface Area | 62.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.00684 |
| Heavy Atoms | 14 |
| Complexity | 491.76276 |
Chemical Identifiers
| CAS Number | 681281-67-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(S2)C(=O)[O-] |
Product Overview
6-Methoxy-1,3-benzothiazole-2-carboxylate (CAS 681281-67-4), with molecular formula C9H6NO3S- and molecular weight 208.01 g/mol. IUPAC: 6-methoxy-1,3-benzothiazole-2-carboxylate.
Chemical Property Profile of 6-Methoxy-1,3-benzothiazole-2-carboxylate
Property Insights of 6-Methoxy-1,3-benzothiazole-2-carboxylate
The XLogP value of 0.6684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxy-1,3-benzothiazole-2-carboxylate. The TPSA of 62.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methoxy-1,3-benzothiazole-2-carboxylate. Following Lipinski's Rule of Five, 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 6-Methoxy-1,3-benzothiazole-2-carboxylate?
The CAS number of 6-Methoxy-1,3-benzothiazole-2-carboxylate is 681281-67-4.
What is the molecular formula of 6-Methoxy-1,3-benzothiazole-2-carboxylate?
The molecular formula of 6-Methoxy-1,3-benzothiazole-2-carboxylate is C9H6NO3S-.
What is the molecular weight of 6-Methoxy-1,3-benzothiazole-2-carboxylate?
The molecular weight of 6-Methoxy-1,3-benzothiazole-2-carboxylate is 208.01 g/mol.
Where can I buy 6-Methoxy-1,3-benzothiazole-2-carboxylate?
You can request a quote for 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 6-Methoxy-1,3-benzothiazole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxy-1,3-benzothiazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.