Isopropyl valerate
TL;DR: Isopropyl valerate (CAS 18362-97-5) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl pentanoate
Also Known As: Isopropyl valerate, propan-2-yl pentanoate, Isopropyl pentanoate, Valeric acid, isopropyl ester, ISO-PROPYL-VALERATE
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 18362-97-5 |
|---|---|
| SMILES | CCCCC(=O)OC(C)C |
| InChIKey | OCAIYHCKLADPEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl valerate (CAS 18362-97-5), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: propan-2-yl pentanoate.
Chemical Property Profile of Isopropyl valerate
Property Insights of Isopropyl valerate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl valerate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl valerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 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 Isopropyl valerate?
The CAS number of Isopropyl valerate is 18362-97-5.
What is the molecular formula of Isopropyl valerate?
The molecular formula of Isopropyl valerate is C8H16O2.
What is the molecular weight of Isopropyl valerate?
The molecular weight of Isopropyl valerate is 144.12 g/mol.
Where can I buy Isopropyl valerate?
You can request a quote for Isopropyl valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl valerate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.