Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate
TL;DR: Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate (CAS 29444-87-9) is a chemical compound with molecular formula C15H18O2 and molecular weight 230.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
deca-2,8-dien-4,6-diynyl 3-methylbutanoate
Also Known As: Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate
| Molecular Formula | C15H18O2 |
|---|---|
| Molecular Weight | 230.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 230.13068 |
| Heavy Atoms | 17 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 29444-87-9 |
|---|---|
| SMILES | CC=CC#CC#CC=CCOC(=O)CC(C)C |
| InChIKey | FPIBENZMUTVCEK-UHFFFAOYSA-N |
Product Overview
Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate (CAS 29444-87-9), with molecular formula C15H18O2 and molecular weight 230.13 g/mol. IUPAC: deca-2,8-dien-4,6-diynyl 3-methylbutanoate.
Chemical Property Profile of Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate
Property Insights of Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate
The XLogP value of 3.7 indicates that Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate 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 Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate?
The CAS number of Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate is 29444-87-9.
What is the molecular formula of Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate?
The molecular formula of Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate is C15H18O2.
What is the molecular weight of Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate?
The molecular weight of Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate is 230.13 g/mol.
Where can I buy Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate?
You can request a quote for Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.