rel-(2R,5R)-2,5-Dimethylcyclohexanone
TL;DR: rel-(2R,5R)-2,5-Dimethylcyclohexanone (CAS 21087-33-2) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(2R,5R)-2,5-dimethylcyclohexan-1-one
Also Known As: 2,5-Dimethylcyclohexanone, 2alpha,5beta-Dimethylcyclohexanone, (2R,5R)-2,5-dimethylcyclohexan-1-one, rel-(2R,5R)-2,5-Dimethylcyclohexanone, RefChem:379122
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 21087-33-2 |
|---|---|
| SMILES | C[C@@H]1CC[C@H](C(=O)C1)C |
| InChIKey | LUGFNAYTNQMMMY-RNFRBKRXSA-N |
Product Overview
rel-(2R,5R)-2,5-Dimethylcyclohexanone (CAS 21087-33-2), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: trans-(2R,5R)-2,5-dimethylcyclohexan-1-one.
Chemical Property Profile of rel-(2R,5R)-2,5-Dimethylcyclohexanone
Property Insights of rel-(2R,5R)-2,5-Dimethylcyclohexanone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-(2R,5R)-2,5-Dimethylcyclohexanone. With a topological polar surface area (TPSA) of 17.1 Ų, rel-(2R,5R)-2,5-Dimethylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-(2R,5R)-2,5-Dimethylcyclohexanone 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
Frequently Asked Questions
What is the CAS number of rel-(2R,5R)-2,5-Dimethylcyclohexanone?
The CAS number of rel-(2R,5R)-2,5-Dimethylcyclohexanone is 21087-33-2.
What is the molecular formula of rel-(2R,5R)-2,5-Dimethylcyclohexanone?
The molecular formula of rel-(2R,5R)-2,5-Dimethylcyclohexanone is C8H14O.
What is the molecular weight of rel-(2R,5R)-2,5-Dimethylcyclohexanone?
The molecular weight of rel-(2R,5R)-2,5-Dimethylcyclohexanone is 126.10 g/mol.
Where can I buy rel-(2R,5R)-2,5-Dimethylcyclohexanone?
You can request a quote for rel-(2R,5R)-2,5-Dimethylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-(2R,5R)-2,5-Dimethylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for rel-(2R,5R)-2,5-Dimethylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.