Isopropyl 2-oxo-1,3-benzoxathiol-5-yl carbonate
TL;DR: Isopropyl 2-oxo-1,3-benzoxathiol-5-yl carbonate (CAS 312266-20-9) is a chemical compound with molecular formula C11H10O5S and molecular weight 254.02 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) propan-2-yl carbonate
Also Known As: TimTec1_000558, isopropyl 2-oxo-1,3-benzoxathiol-5-yl carbonate, (2-oxo-1,3-benzoxathiol-5-yl) propan-2-yl carbonate, 2-oxo-1,3-benzoxathiol-5-yl propan-2-yl carbonate, A1686/0072007
| Molecular Formula | C11H10O5S |
|---|---|
| Molecular Weight | 254.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.02489 |
| Heavy Atoms | 17 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 312266-20-9 |
|---|---|
| SMILES | CC(C)OC(=O)OC1=CC2=C(C=C1)OC(=O)S2 |
| InChIKey | TXKQNLFRXBQDIH-UHFFFAOYSA-N |
Product Overview
Isopropyl 2-oxo-1,3-benzoxathiol-5-yl carbonate (CAS 312266-20-9), with molecular formula C11H10O5S and molecular weight 254.02 g/mol. IUPAC: (2-oxo-1,3-benzoxathiol-5-yl) propan-2-yl carbonate.
Chemical Property Profile of Isopropyl 2-oxo-1,3-benzoxathiol-5-yl carbonate
Property Insights of Isopropyl 2-oxo-1,3-benzoxathiol-5-yl carbonate
The XLogP value of 3.2 indicates that Isopropyl 2-oxo-1,3-benzoxathiol-5-yl 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 Isopropyl 2-oxo-1,3-benzoxathiol-5-yl carbonate. Following Lipinski's Rule of Five, Isopropyl 2-oxo-1,3-benzoxathiol-5-yl 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 Isopropyl 2-oxo-1,3-benzoxathiol-5-yl carbonate?
The CAS number of Isopropyl 2-oxo-1,3-benzoxathiol-5-yl carbonate is 312266-20-9.
What is the molecular formula of Isopropyl 2-oxo-1,3-benzoxathiol-5-yl carbonate?
The molecular formula of Isopropyl 2-oxo-1,3-benzoxathiol-5-yl carbonate is C11H10O5S.
What is the molecular weight of Isopropyl 2-oxo-1,3-benzoxathiol-5-yl carbonate?
The molecular weight of Isopropyl 2-oxo-1,3-benzoxathiol-5-yl carbonate is 254.02 g/mol.
Where can I buy Isopropyl 2-oxo-1,3-benzoxathiol-5-yl carbonate?
You can request a quote for Isopropyl 2-oxo-1,3-benzoxathiol-5-yl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 2-oxo-1,3-benzoxathiol-5-yl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-oxo-1,3-benzoxathiol-5-yl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.