3-甲基-2-丁烯-1-基庚酸酯
TL;DR: 3-甲基-2-丁烯-1-基庚酸酯 (CAS 5205-10-7) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基-2-丁烯-1-基庚酸酯
3-methylbut-2-enyl heptanoate
Also Known As: Prenyl heptanoate, 3-Methylbut-2-enyl heptanoate, Heptanoic acid, 3-methyl-2-butenyl ester, VERTENOL-HEPTANOATE, 3-methylbut-2-en-1-yl heptanoate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 5205-10-7 |
|---|---|
| SMILES | CCCCCCC(=O)OCC=C(C)C |
| InChIKey | KRSMRYMDTIADOD-UHFFFAOYSA-N |
Product Overview
3-甲基-2-丁烯-1-基庚酸酯 (CAS 5205-10-7), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 3-methylbut-2-enyl heptanoate.
Chemical Property Profile of 3-甲基-2-丁烯-1-基庚酸酯
Property Insights of 3-甲基-2-丁烯-1-基庚酸酯
The XLogP value of 4.1 indicates that 3-甲基-2-丁烯-1-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, 3-甲基-2-丁烯-1-基庚酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-2-丁烯-1-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 3-甲基-2-丁烯-1-基庚酸酯?
The CAS number of 3-甲基-2-丁烯-1-基庚酸酯 is 5205-10-7.
What is the molecular formula of 3-甲基-2-丁烯-1-基庚酸酯?
The molecular formula of 3-甲基-2-丁烯-1-基庚酸酯 is C12H22O2.
What is the molecular weight of 3-甲基-2-丁烯-1-基庚酸酯?
The molecular weight of 3-甲基-2-丁烯-1-基庚酸酯 is 198.16 g/mol.
Where can I buy 3-甲基-2-丁烯-1-基庚酸酯?
You can request a quote for 3-甲基-2-丁烯-1-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 3-甲基-2-丁烯-1-基庚酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-2-丁烯-1-基庚酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.