Citronellyl heptanoate
TL;DR: Citronellyl heptanoate (CAS 72934-17-9) is a chemical compound with molecular formula C17H32O2 and molecular weight 268.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloct-6-enyl heptanoate
Also Known As: Citronellyl heptanoate, Citronellol heptanoate, 3,7-dimethyloct-6-enyl heptanoate, 3,7-Dimethyloct-6-en-1-yl heptanoate, Heptanoic acid 3,7-dimethyl-6-octenyl ester
| Molecular Formula | C17H32O2 |
|---|---|
| Molecular Weight | 268.24 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 268.24023 |
| Heavy Atoms | 19 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 72934-17-9 |
|---|---|
| SMILES | CCCCCCC(=O)OCCC(C)CCC=C(C)C |
| InChIKey | JZTNHMKNNVAGPD-UHFFFAOYSA-N |
Product Overview
Citronellyl heptanoate (CAS 72934-17-9), with molecular formula C17H32O2 and molecular weight 268.24 g/mol. IUPAC: 3,7-dimethyloct-6-enyl heptanoate.
Chemical Property Profile of Citronellyl heptanoate
Property Insights of Citronellyl heptanoate
The XLogP value of 6.2 indicates that Citronellyl heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Citronellyl heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Citronellyl heptanoate 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 Citronellyl heptanoate?
The CAS number of Citronellyl heptanoate is 72934-17-9.
What is the molecular formula of Citronellyl heptanoate?
The molecular formula of Citronellyl heptanoate is C17H32O2.
What is the molecular weight of Citronellyl heptanoate?
The molecular weight of Citronellyl heptanoate is 268.24 g/mol.
Where can I buy Citronellyl heptanoate?
You can request a quote for Citronellyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citronellyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for Citronellyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.