![Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester structure](/static/products/548/54856-20-1.png)
Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester
TL;DR: Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester (CAS 54856-20-1) is a chemical compound with molecular formula C15H11NO3S2 and molecular weight 317.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-oxo-1,2-benzothiazol-2-yl)sulfanyl]benzoate
Also Known As: J1.204.675H, methyl 2-[(3-oxo-1,2-benzothiazol-2-yl)sulfanyl]benzoate, Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester, Methyl 2-[(3-oxo-1,2-benzothiazol-2(3H)-yl)sulfanyl]benzoate, 2-[[3-Oxo-1,2-benzisothiazole-2(3H)-yl]thio]benzoic acid methyl ester
| Molecular Formula | C15H11NO3S2 |
|---|---|
| Molecular Weight | 317.02 g/mol |
| LogP | 3.405 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.01804 |
| Heavy Atoms | 21 |
| Complexity | 866.48126 |
Chemical Identifiers
| CAS Number | 54856-20-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1SN2C(=O)C3=CC=CC=C3S2 |
Product Overview
Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester (CAS 54856-20-1), with molecular formula C15H11NO3S2 and molecular weight 317.02 g/mol. IUPAC: methyl 2-[(3-oxo-1,2-benzothiazol-2-yl)sulfanyl]benzoate.
Chemical Property Profile of Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester
Property Insights of Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester
The XLogP value of 3.405 indicates that Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester 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 Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester?
The CAS number of Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester is 54856-20-1.
What is the molecular formula of Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester?
The molecular formula of Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester is C15H11NO3S2.
What is the molecular weight of Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester?
The molecular weight of Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester is 317.02 g/mol.
Where can I buy Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester?
You can request a quote for Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[(3-oxo-1,2-benzisothiazol-2(3H)-yl)thio]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.