(2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one
TL;DR: (2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one (CAS 15175-18-5) is a chemical compound with molecular formula C10H17ClO and molecular weight 188.09679 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cis-(2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one
Also Known As: (2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one, trans-2-chloro-4-tert-butylcyclohexanone, trans-4-tert-Butyl-2-chlorocyclohexanone, Cyclohexanone, 4-tert-butyl-2-chloro-, trans-, Cyclohexanone, 2-chloro-4-(1,1-dimethylethyl)-, trans-
Technical Specifications
| Molecular Formula | C10H17ClO |
| Molecular Weight | 188.09679 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.09679 Da |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
| SMILES | CC(C)(C)[C@@H]1CCC(=O)[C@H](C1)Cl |
| InChIKey | FJAHXLMRHNSHHX-SFYZADRCSA-N |
Chemical Property Profile of (2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one
Property Insights of (2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one
The XLogP value of 3.1 indicates that (2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, (2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one?
The CAS number of (2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one is 15175-18-5.
What is the molecular formula of (2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one?
The molecular formula of (2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one is C10H17ClO.
What is the molecular weight of (2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one?
The molecular weight of (2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one is 188.09679 g/mol.
Where can I buy (2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one?
You can request a quote for (2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one?
Yes, CoreyChem provides custom synthesis services for (2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.