beta-Sanshool
TL;DR: beta-Sanshool (CAS 10076-00-3) is a chemical compound with molecular formula C16H25NO and molecular weight 247.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,6E,8E,10E)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide
Also Known As: beta-sanshool, alpha-Sanshool, (2E,6E,8E,10E)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide, (2E,6E,8E,10E)-N-Isobutyldodeca-2,6,8,10-tetraenamide, (2E,6E,8E,10E)-N-Isobutyl-2,6,8,10-dodecatetrenamide
| Molecular Formula | C16H25NO |
|---|---|
| Molecular Weight | 247.19 g/mol |
| LogP | 3.7835 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 247.19362 |
| Heavy Atoms | 18 |
| Complexity | 321.98865 |
Chemical Identifiers
| CAS Number | 10076-00-3 |
|---|---|
| SMILES | C/C=C/C=C/C=C/CC/C=C/C(=O)NCC(C)C |
Product Overview
beta-Sanshool (CAS 10076-00-3), with molecular formula C16H25NO and molecular weight 247.19 g/mol. IUPAC: (2E,6E,8E,10E)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide.
Chemical Property Profile of beta-Sanshool
Property Insights of beta-Sanshool
The XLogP value of 3.7835 indicates that beta-Sanshool is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, beta-Sanshool exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Sanshool has 1 hydrogen bond donor(s) and 1 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 beta-Sanshool?
The CAS number of beta-Sanshool is 10076-00-3.
What is the molecular formula of beta-Sanshool?
The molecular formula of beta-Sanshool is C16H25NO.
What is the molecular weight of beta-Sanshool?
The molecular weight of beta-Sanshool is 247.19 g/mol.
Where can I buy beta-Sanshool?
You can request a quote for beta-Sanshool directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Sanshool?
Yes, KEHONG BIO provides custom synthesis services for beta-Sanshool and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.