![(1S,3S,4S,6R)-4-(isopropylsulfonyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol structure](/static/products/127/127118-70-1.webp)
(1S,3S,4S,6R)-4-(isopropylsulfonyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
TL;DR: (1S,3S,4S,6R)-4-(isopropylsulfonyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol (CAS 127118-70-1) is a chemical compound with molecular formula C13H24O3S and molecular weight 260.14462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,3S,4S,6R)-3,7,7-trimethyl-4-propan-2-ylsulfonylbicyclo[4.1.0]heptan-3-ol
Also Known As: (1R,3S,4S,6S)-4,7,7-trimethyl-3-propan-2-ylsulfonylbicyclo[4.1.0]heptan-4-ol, (1S,3S,4S,6R)-3,7,7-trimethyl-4-(propan-2-ylsulfonyl)bicyclo[4.1.0]heptan-3-ol, (1S,3S,4S,6R)-4-(isopropylsulfonyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
Technical Specifications
| Molecular Formula | C13H24O3S |
| Molecular Weight | 260.14462 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.14462 Da |
| Heavy Atoms | 17 |
| Complexity | 418.0 |
| SMILES | CC(C)S(=O)(=O)[C@H]1C[C@@H]2[C@@H](C2(C)C)C[C@]1(C)O |
| InChIKey | RCUAHXKIVDXDGO-BLFANLJRSA-N |
Chemical Property Profile of (1S,3S,4S,6R)-4-(isopropylsulfonyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
Property Insights of (1S,3S,4S,6R)-4-(isopropylsulfonyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,3S,4S,6R)-4-(isopropylsulfonyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S,3S,4S,6R)-4-(isopropylsulfonyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol. Following Lipinski's Rule of Five, (1S,3S,4S,6R)-4-(isopropylsulfonyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1S,3S,4S,6R)-4-(isopropylsulfonyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The CAS number of (1S,3S,4S,6R)-4-(isopropylsulfonyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol is 127118-70-1.
What is the molecular formula of (1S,3S,4S,6R)-4-(isopropylsulfonyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The molecular formula of (1S,3S,4S,6R)-4-(isopropylsulfonyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol is C13H24O3S.
What is the molecular weight of (1S,3S,4S,6R)-4-(isopropylsulfonyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The molecular weight of (1S,3S,4S,6R)-4-(isopropylsulfonyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol is 260.14462 g/mol.
Where can I buy (1S,3S,4S,6R)-4-(isopropylsulfonyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
You can request a quote for (1S,3S,4S,6R)-4-(isopropylsulfonyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1S,3S,4S,6R)-4-(isopropylsulfonyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
Yes, CoreyChem provides custom synthesis services for (1S,3S,4S,6R)-4-(isopropylsulfonyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.