(3Z)-3-己烯基庚酸酯
TL;DR: (3Z)-3-己烯基庚酸酯 (CAS 61444-39-1) 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.
(3Z)-3-己烯基庚酸酯
hex-3-enyl heptanoate
Also Known As: (Z)-3-hexen-1-yl heptanoate, Heptanoic acid, (3Z)-3-hexenyl ester, Heptanoic acid,(3Z)-3-hexen-1-yl ester
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 212.17763 |
| Heavy Atoms | 15 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 61444-39-1 |
|---|---|
| SMILES | CCCCCCC(=O)OCCC=CCC |
| InChIKey | KBBLMMCEHYHHIW-UHFFFAOYSA-N |
Product Overview
(3Z)-3-己烯基庚酸酯 (CAS 61444-39-1), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: hex-3-enyl heptanoate.
Chemical Property Profile of (3Z)-3-己烯基庚酸酯
Property Insights of (3Z)-3-己烯基庚酸酯
The XLogP value of 4.3 indicates that (3Z)-3-己烯基庚酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (3Z)-3-己烯基庚酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3Z)-3-己烯基庚酸酯 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 (3Z)-3-己烯基庚酸酯?
The CAS number of (3Z)-3-己烯基庚酸酯 is 61444-39-1.
What is the molecular formula of (3Z)-3-己烯基庚酸酯?
The molecular formula of (3Z)-3-己烯基庚酸酯 is C13H24O2.
What is the molecular weight of (3Z)-3-己烯基庚酸酯?
The molecular weight of (3Z)-3-己烯基庚酸酯 is 212.18 g/mol.
Where can I buy (3Z)-3-己烯基庚酸酯?
You can request a quote for (3Z)-3-己烯基庚酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z)-3-己烯基庚酸酯?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-3-己烯基庚酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.