trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-3,4-piperidinediol
TL;DR: trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-3,4-piperidinediol (CAS 120729-75-1) is a chemical compound with molecular formula C21H23NO2 and molecular weight 321.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S,6S)-1,3-dimethyl-6-phenyl-4-(2-phenylethynyl)piperidine-3,4-diol
Also Known As: trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-3,4-piperidinediol, 3,4-Piperidinediol, 1,3-dimethyl-6-phenyl-4-(phenylethynyl)-, (3-alpha,4-alpha,6-beta)-, (3-alpha,4-alpha,6-beta)-1,3-Dimethyl-6-phenyl-4-(phenylethynyl)-3,4-piperidinediol, (3S,4S,6S)-1,3-dimethyl-6-phenyl-4-(2-phenylethynyl)piperidine-3,4-diol, (3S,4S,6S)-1,3-Dimethyl-6-phenyl-4-(phenylethynyl)piperidine-3,4-diol
| Molecular Formula | C21H23NO2 |
|---|---|
| Molecular Weight | 321.17 g/mol |
| LogP | 2.597 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.17288 |
| Heavy Atoms | 24 |
| Complexity | 745.65826 |
Chemical Identifiers
| CAS Number | 120729-75-1 |
|---|---|
| SMILES | C[C@@]1(CN([C@@H](C[C@@]1(C#CC2=CC=CC=C2)O)C3=CC=CC=C3)C)O |
Product Overview
trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-3,4-piperidinediol (CAS 120729-75-1), with molecular formula C21H23NO2 and molecular weight 321.17 g/mol. IUPAC: (3S,4S,6S)-1,3-dimethyl-6-phenyl-4-(2-phenylethynyl)piperidine-3,4-diol.
Chemical Property Profile of trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-3,4-piperidinediol
Property Insights of trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-3,4-piperidinediol
The XLogP value of 2.597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-3,4-piperidinediol. With a topological polar surface area (TPSA) of 43.7 Ų, trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-3,4-piperidinediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-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 trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-3,4-piperidinediol?
The CAS number of trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-3,4-piperidinediol is 120729-75-1.
What is the molecular formula of trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-3,4-piperidinediol?
The molecular formula of trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-3,4-piperidinediol is C21H23NO2.
What is the molecular weight of trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-3,4-piperidinediol?
The molecular weight of trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-3,4-piperidinediol is 321.17 g/mol.
Where can I buy trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-3,4-piperidinediol?
You can request a quote for trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-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 trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-3,4-piperidinediol?
Yes, KEHONG BIO provides custom synthesis services for trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-3,4-piperidinediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.