六氢-2H-1,3,2λ⁴-苯并二氧硫杂环戊-2-酮
TL;DR: 六氢-2H-1,3,2λ⁴-苯并二氧硫杂环戊-2-酮 (CAS 19456-19-0) is a chemical compound with molecular formula C6H10O3S and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
六氢-2H-1,3,2λ⁴-苯并二氧硫杂环戊-2-酮
3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide
Also Known As: trans-1,2-Cyclohexylene sulfite, 1,2-CYCLOHEXANEDIOL, CYCLIC SULFITE, (E)-, 1,2-Cyclohexanediol, cyclic sulfite, trans-, Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one, Hexahydro-1,3,2-benzodioxathiole 2-oxide, trans-
| Molecular Formula | C6H10O3S |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.03506 |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 19456-19-0 |
|---|---|
| SMILES | C1CCC2C(C1)OS(=O)O2 |
| InChIKey | FKYAVRCOLQKIBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
六氢-2H-1,3,2λ⁴-苯并二氧硫杂环戊-2-酮 (CAS 19456-19-0), with molecular formula C6H10O3S and molecular weight 162.04 g/mol. IUPAC: 3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide.
Chemical Property Profile of 六氢-2H-1,3,2λ⁴-苯并二氧硫杂环戊-2-酮
Property Insights of 六氢-2H-1,3,2λ⁴-苯并二氧硫杂环戊-2-酮
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 六氢-2H-1,3,2λ⁴-苯并二氧硫杂环戊-2-酮. With a topological polar surface area (TPSA) of 54.7 Ų, 六氢-2H-1,3,2λ⁴-苯并二氧硫杂环戊-2-酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 六氢-2H-1,3,2λ⁴-苯并二氧硫杂环戊-2-酮 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 六氢-2H-1,3,2λ⁴-苯并二氧硫杂环戊-2-酮?
The CAS number of 六氢-2H-1,3,2λ⁴-苯并二氧硫杂环戊-2-酮 is 19456-19-0.
What is the molecular formula of 六氢-2H-1,3,2λ⁴-苯并二氧硫杂环戊-2-酮?
The molecular formula of 六氢-2H-1,3,2λ⁴-苯并二氧硫杂环戊-2-酮 is C6H10O3S.
What is the molecular weight of 六氢-2H-1,3,2λ⁴-苯并二氧硫杂环戊-2-酮?
The molecular weight of 六氢-2H-1,3,2λ⁴-苯并二氧硫杂环戊-2-酮 is 162.04 g/mol.
Where can I buy 六氢-2H-1,3,2λ⁴-苯并二氧硫杂环戊-2-酮?
You can request a quote for 六氢-2H-1,3,2λ⁴-苯并二氧硫杂环戊-2-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 六氢-2H-1,3,2λ⁴-苯并二氧硫杂环戊-2-酮?
Yes, KEHONG BIO provides custom synthesis services for 六氢-2H-1,3,2λ⁴-苯并二氧硫杂环戊-2-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.