Butyl 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate
TL;DR: Butyl 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate (CAS 5611-44-9) is a chemical compound with molecular formula C12H11ClO5S and molecular weight 302.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl (5-chloro-2-oxo-1,3-benzoxathiol-6-yl) carbonate
Also Known As: BUTYL 5-CHLORO-2-OXO-1,3-BENZOXATHIOL-6-YL CARBONATE, butyl (5-chloro-2-oxo-1,3-benzoxathiol-6-yl) carbonate, Butyl 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate, Butanoic acid,2,2,3,3,4,4,4-heptafluoro-,2-(2,2,3,3,4,4,4-heptafluoro-1-hydrazinylidenebutyl)hydrazide
| Molecular Formula | C12H11ClO5S |
|---|---|
| Molecular Weight | 302.00 g/mol |
| LogP | 3.8234 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.0016 |
| Heavy Atoms | 19 |
| Complexity | 645.0974 |
Chemical Identifiers
| CAS Number | 5611-44-9 |
|---|---|
| SMILES | CCCCOC(=O)OC1=C(C=C2C(=C1)OC(=O)S2)Cl |
Product Overview
Butyl 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate (CAS 5611-44-9), with molecular formula C12H11ClO5S and molecular weight 302.00 g/mol. IUPAC: butyl (5-chloro-2-oxo-1,3-benzoxathiol-6-yl) carbonate.
Chemical Property Profile of Butyl 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate
Property Insights of Butyl 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate
The XLogP value of 3.8234 indicates that Butyl 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl 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 Butyl 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate. Following Lipinski's Rule of Five, Butyl 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-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 Butyl 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate?
The CAS number of Butyl 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate is 5611-44-9.
What is the molecular formula of Butyl 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate?
The molecular formula of Butyl 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate is C12H11ClO5S.
What is the molecular weight of Butyl 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate?
The molecular weight of Butyl 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate is 302.00 g/mol.
Where can I buy Butyl 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate?
You can request a quote for Butyl 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.