cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol
TL;DR: cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol (CAS 120729-76-2) is a chemical compound with molecular formula C16H21NO2 and molecular weight 259.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R,6S)-4-ethynyl-1,3-dimethyl-6-(4-methylphenyl)piperidine-3,4-diol
Also Known As: cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol, 3,4-Piperidinediol, 1,3-dimethyl-4-ethynyl-6-(4-methylphenyl)-, (3-alpha,4-beta,6-beta)-, (3-alpha,4-beta,6-beta)-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol, (3S,4R,6S)-4-ethynyl-1,3-dimethyl-6-(4-methylphenyl)piperidine-3,4-diol, RefChem:271285
| Molecular Formula | C16H21NO2 |
|---|---|
| Molecular Weight | 259.16 g/mol |
| LogP | 1.48692 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.15723 |
| Heavy Atoms | 19 |
| Complexity | 500.47537 |
Chemical Identifiers
| CAS Number | 120729-76-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)[C@@H]2C[C@]([C@@](CN2C)(C)O)(C#C)O |
Product Overview
cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol (CAS 120729-76-2), with molecular formula C16H21NO2 and molecular weight 259.16 g/mol. IUPAC: (3S,4R,6S)-4-ethynyl-1,3-dimethyl-6-(4-methylphenyl)piperidine-3,4-diol.
Chemical Property Profile of cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol
Property Insights of cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol
The XLogP value of 1.48692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol. With a topological polar surface area (TPSA) of 43.7 Ų, cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-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
Frequently Asked Questions
What is the CAS number of cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol?
The CAS number of cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol is 120729-76-2.
What is the molecular formula of cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol?
The molecular formula of cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol is C16H21NO2.
What is the molecular weight of cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol?
The molecular weight of cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol is 259.16 g/mol.
Where can I buy cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol?
You can request a quote for cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol?
Yes, KEHONG BIO provides custom synthesis services for cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.