2-Oxo-1,3-benzoxathiol-6-yl phenyl carbonate
TL;DR: 2-Oxo-1,3-benzoxathiol-6-yl phenyl carbonate (CAS 301320-90-1) is a chemical compound with molecular formula C14H8O5S and molecular weight 288.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-1,3-benzoxathiol-6-yl) phenyl carbonate
Also Known As: ChemDiv2_000190, 2-oxo-1,3-benzoxathiol-6-yl phenyl carbonate, (2-oxo-1,3-benzoxathiol-6-yl) phenyl carbonate, 2-oxobenzo[d]1,3-oxathiolen-6-yl phenoxyformate, 2-oxobenzo[d][1,3]oxathiol-6-yl phenyl carbonate
| Molecular Formula | C14H8O5S |
|---|---|
| Molecular Weight | 288.01 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.00925 |
| Heavy Atoms | 20 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 301320-90-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)OC2=CC3=C(C=C2)SC(=O)O3 |
| InChIKey | LHEHTMRBRKLMTN-UHFFFAOYSA-N |
Product Overview
2-Oxo-1,3-benzoxathiol-6-yl phenyl carbonate (CAS 301320-90-1), with molecular formula C14H8O5S and molecular weight 288.01 g/mol. IUPAC: (2-oxo-1,3-benzoxathiol-6-yl) phenyl carbonate.
Chemical Property Profile of 2-Oxo-1,3-benzoxathiol-6-yl phenyl carbonate
Property Insights of 2-Oxo-1,3-benzoxathiol-6-yl phenyl carbonate
The XLogP value of 4.0 indicates that 2-Oxo-1,3-benzoxathiol-6-yl phenyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-1,3-benzoxathiol-6-yl phenyl carbonate. Following Lipinski's Rule of Five, 2-Oxo-1,3-benzoxathiol-6-yl phenyl carbonate has 0 hydrogen bond donor(s) and 6 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-6-yl phenyl carbonate?
The CAS number of 2-Oxo-1,3-benzoxathiol-6-yl phenyl carbonate is 301320-90-1.
What is the molecular formula of 2-Oxo-1,3-benzoxathiol-6-yl phenyl carbonate?
The molecular formula of 2-Oxo-1,3-benzoxathiol-6-yl phenyl carbonate is C14H8O5S.
What is the molecular weight of 2-Oxo-1,3-benzoxathiol-6-yl phenyl carbonate?
The molecular weight of 2-Oxo-1,3-benzoxathiol-6-yl phenyl carbonate is 288.01 g/mol.
Where can I buy 2-Oxo-1,3-benzoxathiol-6-yl phenyl carbonate?
You can request a quote for 2-Oxo-1,3-benzoxathiol-6-yl phenyl carbonate 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-6-yl phenyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-1,3-benzoxathiol-6-yl phenyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.