cis-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol
TL;DR: cis-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol (CAS 120729-78-4) is a chemical compound with molecular formula C17H23NO2 and molecular weight 273.17288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R,6S)-6-(2,4-dimethylphenyl)-4-ethynyl-1,3-dimethylpiperidine-3,4-diol
Also Known As: cis-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol, 3,4-Piperidinediol, 1,3-dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-, (3-alpha,4-beta,6-beta)-, (3-alpha,4-beta,6-beta)-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol, (3S,4R,6S)-6-(2,4-dimethylphenyl)-4-ethynyl-1,3-dimethylpiperidine-3,4-diol, BRN 3554380
Technical Specifications
| Molecular Formula | C17H23NO2 |
| Molecular Weight | 273.17288 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.17288 Da |
| Heavy Atoms | 20 |
| Complexity | 414.0 |
| SMILES | CC1=CC(=C(C=C1)[C@@H]2C[C@]([C@@](CN2C)(C)O)(C#C)O)C |
| InChIKey | CGXPMEIRJZQJQM-ULQDDVLXSA-N |
Chemical Property Profile of cis-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol
Property Insights of cis-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol. With a topological polar surface area (TPSA) of 43.7 Ų, cis-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol has 2 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 cis-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol?
The CAS number of cis-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol is 120729-78-4.
What is the molecular formula of cis-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol?
The molecular formula of cis-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol is C17H23NO2.
What is the molecular weight of cis-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol?
The molecular weight of cis-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol is 273.17288 g/mol.
Where can I buy cis-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol?
You can request a quote for cis-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for cis-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol?
Yes, CoreyChem provides custom synthesis services for cis-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.