Butanoic acid, 3-methyl-2-buten-1-yl ester
TL;DR: Butanoic acid, 3-methyl-2-buten-1-yl ester (CAS 7251-49-2) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-2-enyl butanoate
Also Known As: Prenyl butyrate, 3-methylbut-2-enyl butanoate, 3-methyl-2-butenyl butyrate, 3-Methyl-2-buten-1-yl butanoate, Butanoic acid, 3-methyl-2-butenyl ester
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 7251-49-2 |
|---|---|
| SMILES | CCCC(=O)OCC=C(C)C |
| InChIKey | SQIPCPAQCPMJFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 3-methyl-2-buten-1-yl ester (CAS 7251-49-2), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: 3-methylbut-2-enyl butanoate.
Chemical Property Profile of Butanoic acid, 3-methyl-2-buten-1-yl ester
Property Insights of Butanoic acid, 3-methyl-2-buten-1-yl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 3-methyl-2-buten-1-yl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 3-methyl-2-buten-1-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 3-methyl-2-buten-1-yl 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 Butanoic acid, 3-methyl-2-buten-1-yl ester?
The CAS number of Butanoic acid, 3-methyl-2-buten-1-yl ester is 7251-49-2.
What is the molecular formula of Butanoic acid, 3-methyl-2-buten-1-yl ester?
The molecular formula of Butanoic acid, 3-methyl-2-buten-1-yl ester is C9H16O2.
What is the molecular weight of Butanoic acid, 3-methyl-2-buten-1-yl ester?
The molecular weight of Butanoic acid, 3-methyl-2-buten-1-yl ester is 156.12 g/mol.
Where can I buy Butanoic acid, 3-methyl-2-buten-1-yl ester?
You can request a quote for Butanoic acid, 3-methyl-2-buten-1-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 3-methyl-2-buten-1-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3-methyl-2-buten-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.