2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester
TL;DR: 2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester (CAS 4337-62-6) is a chemical compound with molecular formula C11H20O3 and molecular weight 200.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2,2,4-trimethyl-3-oxopentanoate
Also Known As: propan-2-yl 2,2,4-trimethyl-3-oxopentanoate, 2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester, 1-Methylethyl 2,2,4-trimethyl-3-oxopentanoate, 2,2,4-trimethyl-3-oxo-valeric acid, isopropyl ester
| Molecular Formula | C11H20O3 |
|---|---|
| Molecular Weight | 200.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 200.14125 |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 4337-62-6 |
|---|---|
| SMILES | CC(C)C(=O)C(C)(C)C(=O)OC(C)C |
| InChIKey | YXEZWCORRAYTTO-UHFFFAOYSA-N |
Product Overview
2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester (CAS 4337-62-6), with molecular formula C11H20O3 and molecular weight 200.14 g/mol. IUPAC: propan-2-yl 2,2,4-trimethyl-3-oxopentanoate.
Chemical Property Profile of 2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester
Property Insights of 2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, 2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester 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 2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester?
The CAS number of 2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester is 4337-62-6.
What is the molecular formula of 2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester?
The molecular formula of 2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester is C11H20O3.
What is the molecular weight of 2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester?
The molecular weight of 2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester is 200.14 g/mol.
Where can I buy 2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester?
You can request a quote for 2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.