Propan-2-yl 9-oxononanoate
TL;DR: Propan-2-yl 9-oxononanoate (CAS 34208-02-1) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 9-oxononanoate
Also Known As: propan-2-yl 9-oxononanoate, Isopropyl 9-oxononanoate, Isopropyl 9-oxononanoate #, 9-Oxononanoic acid isopropyl ester, Nonanoic acid, 9-oxo-, 1-methylethyl ester
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 34208-02-1 |
|---|---|
| SMILES | CC(C)OC(=O)CCCCCCCC=O |
| InChIKey | JJQQFLZQYQZQHF-UHFFFAOYSA-N |
Product Overview
Propan-2-yl 9-oxononanoate (CAS 34208-02-1), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: propan-2-yl 9-oxononanoate.
Chemical Property Profile of Propan-2-yl 9-oxononanoate
Property Insights of Propan-2-yl 9-oxononanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 9-oxononanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Propan-2-yl 9-oxononanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 9-oxononanoate has 0 hydrogen bond donor(s) and 3 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 Propan-2-yl 9-oxononanoate?
The CAS number of Propan-2-yl 9-oxononanoate is 34208-02-1.
What is the molecular formula of Propan-2-yl 9-oxononanoate?
The molecular formula of Propan-2-yl 9-oxononanoate is C12H22O3.
What is the molecular weight of Propan-2-yl 9-oxononanoate?
The molecular weight of Propan-2-yl 9-oxononanoate is 214.16 g/mol.
Where can I buy Propan-2-yl 9-oxononanoate?
You can request a quote for Propan-2-yl 9-oxononanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 9-oxononanoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 9-oxononanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.