Santalyl butyrate
TL;DR: Santalyl butyrate (CAS 67633-98-1) is a chemical compound with molecular formula C19H30O2 and molecular weight 290.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] butanoate
Also Known As: Santalyl butyrate, Santalyl n-butyrate, Butanoic acid, 2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-2-penten-1-yl ester, [2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] butanoate, 2-Penten-1-ol, 2-methyl-5-(2-methyl-3-methylene-2-norbornyl)-, butyrate
| Molecular Formula | C19H30O2 |
|---|---|
| Molecular Weight | 290.22 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 290.22458 |
| Heavy Atoms | 21 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 67633-98-1 |
|---|---|
| SMILES | CCCC(=O)OCC(=CCCC1(C2CCC(C2)C1=C)C)C |
| InChIKey | JBONJDLTGVVYHE-UHFFFAOYSA-N |
Product Overview
Santalyl butyrate (CAS 67633-98-1), with molecular formula C19H30O2 and molecular weight 290.22 g/mol. IUPAC: [2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] butanoate.
Chemical Property Profile of Santalyl butyrate
Property Insights of Santalyl butyrate
The XLogP value of 5.4 indicates that Santalyl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Santalyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Santalyl butyrate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Santalyl butyrate?
The CAS number of Santalyl butyrate is 67633-98-1.
What is the molecular formula of Santalyl butyrate?
The molecular formula of Santalyl butyrate is C19H30O2.
What is the molecular weight of Santalyl butyrate?
The molecular weight of Santalyl butyrate is 290.22 g/mol.
Where can I buy Santalyl butyrate?
You can request a quote for Santalyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Santalyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for Santalyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.