Benzyl 4-methyl-2-oxopentanoate
TL;DR: Benzyl 4-methyl-2-oxopentanoate (CAS 96136-13-9) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-methyl-2-oxopentanoate
Also Known As: Benzyl 4-methyl-2-oxo-pentanoate, benzyl 4-methyl-2-oxopentanoate, benzyl 2-keto-isohexanoate, BENZYL-2-KETO-ISOHEXANOATE, 3-benzyl-4-methyl-2-oxopentanoate
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.345 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 354.7003 |
Chemical Identifiers
| CAS Number | 96136-13-9 |
|---|---|
| SMILES | CC(C)CC(=O)C(=O)OCC1=CC=CC=C1 |
Product Overview
Benzyl 4-methyl-2-oxopentanoate (CAS 96136-13-9), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: benzyl 4-methyl-2-oxopentanoate.
Chemical Property Profile of Benzyl 4-methyl-2-oxopentanoate
Property Insights of Benzyl 4-methyl-2-oxopentanoate
The XLogP value of 2.345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 4-methyl-2-oxopentanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Benzyl 4-methyl-2-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 4-methyl-2-oxopentanoate 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 Benzyl 4-methyl-2-oxopentanoate?
The CAS number of Benzyl 4-methyl-2-oxopentanoate is 96136-13-9.
What is the molecular formula of Benzyl 4-methyl-2-oxopentanoate?
The molecular formula of Benzyl 4-methyl-2-oxopentanoate is C13H16O3.
What is the molecular weight of Benzyl 4-methyl-2-oxopentanoate?
The molecular weight of Benzyl 4-methyl-2-oxopentanoate is 220.11 g/mol.
Where can I buy Benzyl 4-methyl-2-oxopentanoate?
You can request a quote for Benzyl 4-methyl-2-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 4-methyl-2-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 4-methyl-2-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.