![(4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one structure](/static/products/139/139259-52-2.png)
(4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one
TL;DR: (4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one (CAS 139259-52-2) is a chemical compound with molecular formula C12H18O2S and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3R,5S,7R)-4,4,7-trimethyl-8-oxa-11-thiatricyclo[5.4.0.03,5]undecan-9-one
Also Known As: (4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one, (4aR,5aR,6aS,7aR)-6,6,7a-trimethyloctahydro-2H-cyclopropa[4,5]benzo[1,2-b][1,4]oxathiin-2-one
| Molecular Formula | C12H18O2S |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 2.4697 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.10275 |
| Heavy Atoms | 15 |
| Complexity | 325.5838 |
Chemical Identifiers
| CAS Number | 139259-52-2 |
|---|---|
| SMILES | C[C@@]12C[C@H]3[C@H](C3(C)C)C[C@H]1SCC(=O)O2 |
Product Overview
(4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one (CAS 139259-52-2), with molecular formula C12H18O2S and molecular weight 226.10 g/mol. IUPAC: (1R,3R,5S,7R)-4,4,7-trimethyl-8-oxa-11-thiatricyclo[5.4.0.03,5]undecan-9-one.
Chemical Property Profile of (4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one
Property Insights of (4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one
The XLogP value of 2.4697 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one. With a topological polar surface area (TPSA) of 26.3 Ų, (4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one 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 (4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one?
The CAS number of (4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one is 139259-52-2.
What is the molecular formula of (4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one?
The molecular formula of (4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one is C12H18O2S.
What is the molecular weight of (4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one?
The molecular weight of (4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one is 226.10 g/mol.
Where can I buy (4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one?
You can request a quote for (4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (4aR,5aR,6aS,7aR)-6,6,7a-trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.