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Benzo[c][2,1]benzoxathiine 6-oxide
TL;DR: Benzo[c][2,1]benzoxathiine 6-oxide (CAS 77972-18-0) is a chemical compound with molecular formula C12H8O2S and molecular weight 216.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S)-benzo[c][2,1]benzoxathiine 6-oxide
Also Known As: HBP-sultine, biphenylene sultone, DIBENZO[1,2]OXATHIIN 6-OXIDE, benzo[c][2,1]benzoxathiine 6-oxide, Dibenzo[1,2]oxathiin6-oxide
| Molecular Formula | C12H8O2S |
|---|---|
| Molecular Weight | 216.02 g/mol |
| LogP | 2.7686 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.0245 |
| Heavy Atoms | 15 |
| Complexity | 548.8233 |
Chemical Identifiers
| CAS Number | 77972-18-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3[S@@](=O)O2 |
Product Overview
Benzo[c][2,1]benzoxathiine 6-oxide (CAS 77972-18-0), with molecular formula C12H8O2S and molecular weight 216.02 g/mol. IUPAC: (6S)-benzo[c][2,1]benzoxathiine 6-oxide.
Chemical Property Profile of Benzo[c][2,1]benzoxathiine 6-oxide
Property Insights of Benzo[c][2,1]benzoxathiine 6-oxide
The XLogP value of 2.7686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[c][2,1]benzoxathiine 6-oxide. With a topological polar surface area (TPSA) of 26.3 Ų, Benzo[c][2,1]benzoxathiine 6-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[c][2,1]benzoxathiine 6-oxide has 0 hydrogen bond donor(s) and 2 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 Benzo[c][2,1]benzoxathiine 6-oxide?
The CAS number of Benzo[c][2,1]benzoxathiine 6-oxide is 77972-18-0.
What is the molecular formula of Benzo[c][2,1]benzoxathiine 6-oxide?
The molecular formula of Benzo[c][2,1]benzoxathiine 6-oxide is C12H8O2S.
What is the molecular weight of Benzo[c][2,1]benzoxathiine 6-oxide?
The molecular weight of Benzo[c][2,1]benzoxathiine 6-oxide is 216.02 g/mol.
Where can I buy Benzo[c][2,1]benzoxathiine 6-oxide?
You can request a quote for Benzo[c][2,1]benzoxathiine 6-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[c][2,1]benzoxathiine 6-oxide?
Yes, KEHONG BIO provides custom synthesis services for Benzo[c][2,1]benzoxathiine 6-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.