3-甲基丁酸戊酯
TL;DR: 3-甲基丁酸戊酯 (CAS 25415-62-7) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基丁酸戊酯
pentyl 3-methylbutanoate
Also Known As: Pentyl 3-methylbutanoate, Amyl isovalerate, Pentyl isovalerate, n-Amyl isovalerate, 1-Pentyl isovalerate
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 119.0 |
| Boiling Point | 169.00 to 170.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 25415-62-7 |
|---|---|
| SMILES | CCCCCOC(=O)CC(C)C |
| InChIKey | QURFFFCYNQXLCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基丁酸戊酯 (CAS 25415-62-7), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: pentyl 3-methylbutanoate.
Chemical Property Profile of 3-甲基丁酸戊酯
Property Insights of 3-甲基丁酸戊酯
The XLogP value of 3.2 indicates that 3-甲基丁酸戊酯 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-甲基丁酸戊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基丁酸戊酯 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-甲基丁酸戊酯?
The CAS number of 3-甲基丁酸戊酯 is 25415-62-7.
What is the molecular formula of 3-甲基丁酸戊酯?
The molecular formula of 3-甲基丁酸戊酯 is C10H20O2.
What is the molecular weight of 3-甲基丁酸戊酯?
The molecular weight of 3-甲基丁酸戊酯 is 172.15 g/mol.
Where can I buy 3-甲基丁酸戊酯?
You can request a quote for 3-甲基丁酸戊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基丁酸戊酯?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基丁酸戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.