Allyl valerate
TL;DR: Allyl valerate (CAS 6321-45-5) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl pentanoate
Also Known As: Allyl valerate, Allyl pentanoate, prop-2-enyl pentanoate, allyl n-valerate, allylvalerat
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
| Boiling Point | 164.00 to 165.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 6321-45-5 |
|---|---|
| SMILES | CCCCC(=O)OCC=C |
| InChIKey | PWYXVVREDGESBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl valerate (CAS 6321-45-5), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: prop-2-enyl pentanoate.
Chemical Property Profile of Allyl valerate
Property Insights of Allyl valerate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl valerate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl valerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl valerate 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 Allyl valerate?
The CAS number of Allyl valerate is 6321-45-5.
What is the molecular formula of Allyl valerate?
The molecular formula of Allyl valerate is C8H14O2.
What is the molecular weight of Allyl valerate?
The molecular weight of Allyl valerate is 142.10 g/mol.
Where can I buy Allyl valerate?
You can request a quote for Allyl valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl valerate?
Yes, KEHONG BIO provides custom synthesis services for Allyl valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.