Valperinol
TL;DR: Valperinol (CAS 64860-67-9) is a chemical compound with molecular formula C16H27NO4 and molecular weight 297.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3R,4S,6R,7S,8R,10R)-8-methoxy-10-methyl-3-(piperidin-1-ylmethyl)-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol
Also Known As: Valperinol, Valperinolum, Valperinol [INN], Valperinolum [INN-Latin], (1r,3r,4r,4ar,6s,7r,7as)-1-methoxy-4-methyl-7-(piperidin-1-ylmethyl)octahydro-3,7-epoxycyclopenta[c]pyran-6-ol
| Molecular Formula | C16H27NO4 |
|---|---|
| Molecular Weight | 297.19 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.194 |
| Heavy Atoms | 21 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 64860-67-9 |
|---|---|
| SMILES | C[C@@H]1[C@H]2C[C@@H]([C@@]3([C@H]2[C@@H](O[C@H]1O3)OC)CN4CCCCC4)O |
| InChIKey | KZSHXABWNBVUTK-GBIHRFPISA-N |
Product Overview
Valperinol (CAS 64860-67-9), with molecular formula C16H27NO4 and molecular weight 297.19 g/mol. IUPAC: (1R,3R,4S,6R,7S,8R,10R)-8-methoxy-10-methyl-3-(piperidin-1-ylmethyl)-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol.
Chemical Property Profile of Valperinol
Property Insights of Valperinol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valperinol. With a topological polar surface area (TPSA) of 51.2 Ų, Valperinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valperinol has 1 hydrogen bond donor(s) and 5 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 Valperinol?
The CAS number of Valperinol is 64860-67-9.
What is the molecular formula of Valperinol?
The molecular formula of Valperinol is C16H27NO4.
What is the molecular weight of Valperinol?
The molecular weight of Valperinol is 297.19 g/mol.
Where can I buy Valperinol?
You can request a quote for Valperinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valperinol?
Yes, KEHONG BIO provides custom synthesis services for Valperinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.