巴豆酸香茅酯
TL;DR: 巴豆酸香茅酯 (CAS 68039-38-3) is a chemical compound with molecular formula C14H24O2 and molecular weight 224.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
巴豆酸香茅酯
3,7-dimethyloct-6-enyl but-2-enoate
Also Known As: Citronellyl crotonate, Citronellyl but-2-enoate, 3,7-dimethyloct-6-enyl but-2-enoate, 3,7-Dimethyl-6-octenyl 2-butenoate, 2-Butenoic acid, 3,7-dimethyl-6-octen-1-yl ester
| Molecular Formula | C14H24O2 |
|---|---|
| Molecular Weight | 224.18 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 224.17763 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 68039-38-3 |
|---|---|
| SMILES | CC=CC(=O)OCCC(C)CCC=C(C)C |
| InChIKey | MYGZJMACIRJNPL-UHFFFAOYSA-N |
Product Overview
巴豆酸香茅酯 (CAS 68039-38-3), with molecular formula C14H24O2 and molecular weight 224.18 g/mol. IUPAC: 3,7-dimethyloct-6-enyl but-2-enoate.
Chemical Property Profile of 巴豆酸香茅酯
Property Insights of 巴豆酸香茅酯
The XLogP value of 4.6 indicates that 巴豆酸香茅酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 巴豆酸香茅酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 巴豆酸香茅酯 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 巴豆酸香茅酯?
The CAS number of 巴豆酸香茅酯 is 68039-38-3.
What is the molecular formula of 巴豆酸香茅酯?
The molecular formula of 巴豆酸香茅酯 is C14H24O2.
What is the molecular weight of 巴豆酸香茅酯?
The molecular weight of 巴豆酸香茅酯 is 224.18 g/mol.
Where can I buy 巴豆酸香茅酯?
You can request a quote for 巴豆酸香茅酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 巴豆酸香茅酯?
Yes, KEHONG BIO provides custom synthesis services for 巴豆酸香茅酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.