(S)-3,7-dimethyloct-6-enyl propionate
TL;DR: (S)-3,7-dimethyloct-6-enyl propionate (CAS 89460-13-9) is a chemical compound with molecular formula C13H24O2 and molecular weight 212.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-3,7-dimethyloct-6-enyl] propanoate
Also Known As: Citronellyl propionate, EINECS 289-504-1, -3,7-dimethyloct-6-enylpropionate, (S)- 3,7-dimethyloct-6-enyl propionate, 3-ethoxycarbonyl-4-hydroxydibenzofuran
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 3.7122 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 212.17763 |
| Heavy Atoms | 15 |
| Complexity | 202.5815 |
Chemical Identifiers
| CAS Number | 89460-13-9 |
|---|---|
| SMILES | CCC(=O)OCC[C@@H](C)CCC=C(C)C |
Product Overview
(S)-3,7-dimethyloct-6-enyl propionate (CAS 89460-13-9), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: [(3S)-3,7-dimethyloct-6-enyl] propanoate.
Chemical Property Profile of (S)-3,7-dimethyloct-6-enyl propionate
Property Insights of (S)-3,7-dimethyloct-6-enyl propionate
The XLogP value of 3.7122 indicates that (S)-3,7-dimethyloct-6-enyl propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (S)-3,7-dimethyloct-6-enyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-3,7-dimethyloct-6-enyl propionate has 0 hydrogen bond donor(s) and 2 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 (S)-3,7-dimethyloct-6-enyl propionate?
The CAS number of (S)-3,7-dimethyloct-6-enyl propionate is 89460-13-9.
What is the molecular formula of (S)-3,7-dimethyloct-6-enyl propionate?
The molecular formula of (S)-3,7-dimethyloct-6-enyl propionate is C13H24O2.
What is the molecular weight of (S)-3,7-dimethyloct-6-enyl propionate?
The molecular weight of (S)-3,7-dimethyloct-6-enyl propionate is 212.18 g/mol.
Where can I buy (S)-3,7-dimethyloct-6-enyl propionate?
You can request a quote for (S)-3,7-dimethyloct-6-enyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3,7-dimethyloct-6-enyl propionate?
Yes, KEHONG BIO provides custom synthesis services for (S)-3,7-dimethyloct-6-enyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.