3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine
TL;DR: 3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine (CAS 84714-87-4) 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-benzyl-4-ethynyl-3-methyl-6-phenylpiperidine-3,4-diol
Also Known As: 3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine, 3,4-Piperidinediol, 4-ethynyl-3-methyl-6-phenyl-1-(phenylmethyl)-, (3-alpha,4-alpha,6-beta)-, (3-alpha,4-alpha,6-beta)-4-Ethynyl-3-methyl-6-phenyl-1-(phenylmethyl)-3,4-piperidinediol, (3S,4S,6S)-1-benzyl-4-ethynyl-3-methyl-6-phenylpiperidine-3,4-diol, RefChem:271308
| Molecular Formula | C21H23NO2 |
|---|---|
| Molecular Weight | 321.17 g/mol |
| LogP | 2.7489 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.17288 |
| Heavy Atoms | 24 |
| Complexity | 720.5089 |
Chemical Identifiers
| CAS Number | 84714-87-4 |
|---|---|
| SMILES | C[C@@]1(CN([C@@H](C[C@@]1(C#C)O)C2=CC=CC=C2)CC3=CC=CC=C3)O |
Product Overview
3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine (CAS 84714-87-4), with molecular formula C21H23NO2 and molecular weight 321.17 g/mol. IUPAC: (3S,4S,6S)-1-benzyl-4-ethynyl-3-methyl-6-phenylpiperidine-3,4-diol.
Chemical Property Profile of 3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine
Property Insights of 3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine
The XLogP value of 2.7489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine. With a topological polar surface area (TPSA) of 43.7 Ų, 3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine 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 3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine?
The CAS number of 3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine is 84714-87-4.
What is the molecular formula of 3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine?
The molecular formula of 3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine is C21H23NO2.
What is the molecular weight of 3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine?
The molecular weight of 3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine is 321.17 g/mol.
Where can I buy 3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine?
You can request a quote for 3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.