3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide
TL;DR: 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide (CAS 68460-01-5) is a chemical compound with molecular formula C7Br4O4S and molecular weight 495.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrabromo-1,1-dioxo-2,1λ6-benzoxathiol-3-one
Also Known As: Tetrabromo-2-sulfobenzoic acid cyclic anhydride, Tetrabromo-O-sulfobenzoic anhydride, C7Br4O4S, 1-Isoquinolinemethanol, 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide
| Molecular Formula | C7Br4O4S |
|---|---|
| Molecular Weight | 495.63 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 499.62097 |
| Heavy Atoms | 16 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 68460-01-5 |
|---|---|
| SMILES | C12=C(C(=C(C(=C1Br)Br)Br)Br)S(=O)(=O)OC2=O |
| InChIKey | QPGYGIVRJIICGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide (CAS 68460-01-5), with molecular formula C7Br4O4S and molecular weight 495.63 g/mol. IUPAC: 4,5,6,7-tetrabromo-1,1-dioxo-2,1λ6-benzoxathiol-3-one.
Chemical Property Profile of 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide
Property Insights of 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide
The XLogP value of 3.7 indicates that 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide. Following Lipinski's Rule of Five, 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide has 0 hydrogen bond donor(s) and 4 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 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide?
The CAS number of 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide is 68460-01-5.
What is the molecular formula of 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide?
The molecular formula of 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide is C7Br4O4S.
What is the molecular weight of 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide?
The molecular weight of 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide is 495.63 g/mol.
Where can I buy 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide?
You can request a quote for 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.