2-Hexenoic acid, 3-propyl-
TL;DR: 2-Hexenoic acid, 3-propyl- (CAS 59117-27-0) 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-propylhex-2-enoic acid
Also Known As: 3-propylhex-2-enoic acid, 3-Propyl-2-hexenoic acid, 2-Hexenoic acid, 3-propyl-, 3-propylhex-2-enoicacid, 3-propyl-hex-2-enoic acid
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.5976 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 139.64172 |
Chemical Identifiers
| CAS Number | 59117-27-0 |
|---|---|
| SMILES | CCCC(=CC(=O)O)CCC |
Product Overview
2-Hexenoic acid, 3-propyl- (CAS 59117-27-0), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: 3-propylhex-2-enoic acid.
Chemical Property Profile of 2-Hexenoic acid, 3-propyl-
Property Insights of 2-Hexenoic acid, 3-propyl-
The XLogP value of 2.5976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexenoic acid, 3-propyl-. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Hexenoic acid, 3-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexenoic acid, 3-propyl- has 1 hydrogen bond donor(s) and 1 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 2-Hexenoic acid, 3-propyl-?
The CAS number of 2-Hexenoic acid, 3-propyl- is 59117-27-0.
What is the molecular formula of 2-Hexenoic acid, 3-propyl-?
The molecular formula of 2-Hexenoic acid, 3-propyl- is C9H16O2.
What is the molecular weight of 2-Hexenoic acid, 3-propyl-?
The molecular weight of 2-Hexenoic acid, 3-propyl- is 156.12 g/mol.
Where can I buy 2-Hexenoic acid, 3-propyl-?
You can request a quote for 2-Hexenoic acid, 3-propyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexenoic acid, 3-propyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexenoic acid, 3-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.