4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-yl ethyl carbonate
TL;DR: 4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-yl ethyl carbonate (CAS 683783-80-4) is a chemical compound with molecular formula C10H6Cl2O5S and molecular weight 307.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,6-dichloro-2-oxo-1,3-benzoxathiol-5-yl) ethyl carbonate
Also Known As: 4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-yl ethyl carbonate, (4,6-dichloro-2-oxo-1,3-benzoxathiol-5-yl) ethyl carbonate, 4,6-dichloro-2-oxo-1,3-benzoxathiol-5-yl ethyl carbonate, 4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-ylethylcarbonate, (2,4-dichloro-8-oxo-7-oxa-9-thiabicyclo[4.3.0]nona-1,3,5-trien-3-yl) Ethyl Carbonate
| Molecular Formula | C10H6Cl2O5S |
|---|---|
| Molecular Weight | 307.93 g/mol |
| LogP | 3.6966 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.9313 |
| Heavy Atoms | 18 |
| Complexity | 660.0672 |
Chemical Identifiers
| CAS Number | 683783-80-4 |
|---|---|
| SMILES | CCOC(=O)OC1=C(C=C2C(=C1Cl)SC(=O)O2)Cl |
Product Overview
4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-yl ethyl carbonate (CAS 683783-80-4), with molecular formula C10H6Cl2O5S and molecular weight 307.93 g/mol. IUPAC: (4,6-dichloro-2-oxo-1,3-benzoxathiol-5-yl) ethyl carbonate.
Chemical Property Profile of 4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-yl ethyl carbonate
Property Insights of 4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-yl ethyl carbonate
The XLogP value of 3.6966 indicates that 4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-yl ethyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-yl ethyl carbonate. Following Lipinski's Rule of Five, 4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-yl ethyl 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 4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-yl ethyl carbonate?
The CAS number of 4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-yl ethyl carbonate is 683783-80-4.
What is the molecular formula of 4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-yl ethyl carbonate?
The molecular formula of 4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-yl ethyl carbonate is C10H6Cl2O5S.
What is the molecular weight of 4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-yl ethyl carbonate?
The molecular weight of 4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-yl ethyl carbonate is 307.93 g/mol.
Where can I buy 4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-yl ethyl carbonate?
You can request a quote for 4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-yl ethyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-yl ethyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 4,6-dichloro-2-oxo-2H-1,3-benzoxathiol-5-yl ethyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.