2-Oxo-1,3-benzoxathiol-5-yl 2,4-dichlorobenzoate
TL;DR: 2-Oxo-1,3-benzoxathiol-5-yl 2,4-dichlorobenzoate (CAS 331669-41-1) is a chemical compound with molecular formula C14H6Cl2O4S and molecular weight 339.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-1,3-benzoxathiol-5-yl) 2,4-dichlorobenzoate
Also Known As: BAS 00394801, 2-oxo-1,3-benzoxathiol-5-yl 2,4-dichlorobenzoate, (2-oxo-1,3-benzoxathiol-5-yl) 2,4-dichlorobenzoate, 2-oxobenzo[d][1,3]oxathiol-5-yl 2,4-dichlorobenzoate, 2-OXO-2H-1,3-BENZOXATHIOL-5-YL 2,4-DICHLOROBENZOATE
| Molecular Formula | C14H6Cl2O4S |
|---|---|
| Molecular Weight | 339.94 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.93637 |
| Heavy Atoms | 21 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 331669-41-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1OC(=O)C3=C(C=C(C=C3)Cl)Cl)SC(=O)O2 |
| InChIKey | SYRHXBTXCSULKO-UHFFFAOYSA-N |
Product Overview
2-Oxo-1,3-benzoxathiol-5-yl 2,4-dichlorobenzoate (CAS 331669-41-1), with molecular formula C14H6Cl2O4S and molecular weight 339.94 g/mol. IUPAC: (2-oxo-1,3-benzoxathiol-5-yl) 2,4-dichlorobenzoate.
Chemical Property Profile of 2-Oxo-1,3-benzoxathiol-5-yl 2,4-dichlorobenzoate
Property Insights of 2-Oxo-1,3-benzoxathiol-5-yl 2,4-dichlorobenzoate
The XLogP value of 4.9 indicates that 2-Oxo-1,3-benzoxathiol-5-yl 2,4-dichlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-1,3-benzoxathiol-5-yl 2,4-dichlorobenzoate. Following Lipinski's Rule of Five, 2-Oxo-1,3-benzoxathiol-5-yl 2,4-dichlorobenzoate 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 2-Oxo-1,3-benzoxathiol-5-yl 2,4-dichlorobenzoate?
The CAS number of 2-Oxo-1,3-benzoxathiol-5-yl 2,4-dichlorobenzoate is 331669-41-1.
What is the molecular formula of 2-Oxo-1,3-benzoxathiol-5-yl 2,4-dichlorobenzoate?
The molecular formula of 2-Oxo-1,3-benzoxathiol-5-yl 2,4-dichlorobenzoate is C14H6Cl2O4S.
What is the molecular weight of 2-Oxo-1,3-benzoxathiol-5-yl 2,4-dichlorobenzoate?
The molecular weight of 2-Oxo-1,3-benzoxathiol-5-yl 2,4-dichlorobenzoate is 339.94 g/mol.
Where can I buy 2-Oxo-1,3-benzoxathiol-5-yl 2,4-dichlorobenzoate?
You can request a quote for 2-Oxo-1,3-benzoxathiol-5-yl 2,4-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-1,3-benzoxathiol-5-yl 2,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-1,3-benzoxathiol-5-yl 2,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.