4-Pentenoic acid, 3-methylbutyl ester
TL;DR: 4-Pentenoic acid, 3-methylbutyl ester (CAS 76649-18-8) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl pent-4-enoate
Also Known As: Isoamyl 4-pentenoate, 3-methylbutyl pent-4-enoate, 4-Pentenoic acid, 3-methylbutyl ester, 4-Pentenoic acid,3-methylbutyl ester, 4-PENTENOIC ACID 3-METHYLBUTYL ESTER
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.5419 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 138.774 |
Chemical Identifiers
| CAS Number | 76649-18-8 |
|---|---|
| SMILES | CC(C)CCOC(=O)CCC=C |
Product Overview
4-Pentenoic acid, 3-methylbutyl ester (CAS 76649-18-8), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 3-methylbutyl pent-4-enoate.
Chemical Property Profile of 4-Pentenoic acid, 3-methylbutyl ester
Property Insights of 4-Pentenoic acid, 3-methylbutyl ester
The XLogP value of 2.5419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentenoic acid, 3-methylbutyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Pentenoic acid, 3-methylbutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentenoic acid, 3-methylbutyl ester 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 4-Pentenoic acid, 3-methylbutyl ester?
The CAS number of 4-Pentenoic acid, 3-methylbutyl ester is 76649-18-8.
What is the molecular formula of 4-Pentenoic acid, 3-methylbutyl ester?
The molecular formula of 4-Pentenoic acid, 3-methylbutyl ester is C10H18O2.
What is the molecular weight of 4-Pentenoic acid, 3-methylbutyl ester?
The molecular weight of 4-Pentenoic acid, 3-methylbutyl ester is 170.13 g/mol.
Where can I buy 4-Pentenoic acid, 3-methylbutyl ester?
You can request a quote for 4-Pentenoic acid, 3-methylbutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentenoic acid, 3-methylbutyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentenoic acid, 3-methylbutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.