Spiro(3H-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide
TL;DR: Spiro(3H-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide (CAS 8042-97-5) is a chemical compound with molecular formula C12H14O3S and molecular weight 238.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[2,1λ6-benzoxathiole-3,1'-cyclohexane] 1,1-dioxide
Also Known As: spiro[2,1, Spiro(3H-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide, spiro[benzo[c]oxathiole-3,1'-cyclohexane] 1,1-dioxide, spiro[2,1, E6-benzoxathiole-3,1'-cyclohexane] 1,1-dioxide
| Molecular Formula | C12H14O3S |
|---|---|
| Molecular Weight | 238.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.06636 |
| Heavy Atoms | 16 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 8042-97-5 |
|---|---|
| SMILES | C1CCC2(CC1)C3=CC=CC=C3S(=O)(=O)O2 |
| InChIKey | FWLHSILHPJXBEN-UHFFFAOYSA-N |
Product Overview
Spiro(3H-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide (CAS 8042-97-5), with molecular formula C12H14O3S and molecular weight 238.07 g/mol. IUPAC: spiro[2,1λ6-benzoxathiole-3,1'-cyclohexane] 1,1-dioxide.
Chemical Property Profile of Spiro(3H-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide
Property Insights of Spiro(3H-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro(3H-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide. With a topological polar surface area (TPSA) of 51.8 Ų, Spiro(3H-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro(3H-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide has 0 hydrogen bond donor(s) and 3 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 Spiro(3H-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide?
The CAS number of Spiro(3H-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide is 8042-97-5.
What is the molecular formula of Spiro(3H-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide?
The molecular formula of Spiro(3H-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide is C12H14O3S.
What is the molecular weight of Spiro(3H-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide?
The molecular weight of Spiro(3H-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide is 238.07 g/mol.
Where can I buy Spiro(3H-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide?
You can request a quote for Spiro(3H-2,1-benzoxathiole-3,1'-cyclohexane), 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 Spiro(3H-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Spiro(3H-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.