Propyl 4-hexynoate
TL;DR: Propyl 4-hexynoate (CAS 501009-54-7) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl hex-4-ynoate
Also Known As: Propyl 4-hexynoate, Propyl Hex-4-ynoate, 4-Hexynoic acid, propyl ester
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 1.7431 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 162.13689 |
Chemical Identifiers
| CAS Number | 501009-54-7 |
|---|---|
| SMILES | CCCOC(=O)CCC#CC |
Product Overview
Propyl 4-hexynoate (CAS 501009-54-7), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: propyl hex-4-ynoate.
Chemical Property Profile of Propyl 4-hexynoate
Property Insights of Propyl 4-hexynoate
The XLogP value of 1.7431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 4-hexynoate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl 4-hexynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 4-hexynoate 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 Propyl 4-hexynoate?
The CAS number of Propyl 4-hexynoate is 501009-54-7.
What is the molecular formula of Propyl 4-hexynoate?
The molecular formula of Propyl 4-hexynoate is C9H14O2.
What is the molecular weight of Propyl 4-hexynoate?
The molecular weight of Propyl 4-hexynoate is 154.10 g/mol.
Where can I buy Propyl 4-hexynoate?
You can request a quote for Propyl 4-hexynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 4-hexynoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-hexynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.