Pentanoic acid, 2-methyl-3-oxo-, phenylmethyl ester
TL;DR: Pentanoic acid, 2-methyl-3-oxo-, phenylmethyl ester (CAS 162662-03-5) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 2-methyl-3-oxopentanoate
Also Known As: Benzyl 2-methyl-3-oxo-pentanoate, BENZYL 2-METHYL-3-OXOPENTANOATE, 2-Methyl-3-oxovaleric acid benzyl ester, Pentanoic acid, 2-methyl-3-oxo-, phenylmethyl ester, 2-Methyl-3-oxopentanoic acid benzyl ester
Technical Specifications
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.10994 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.10994 Da |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
| SMILES | CCC(=O)C(C)C(=O)OCC1=CC=CC=C1 |
| InChIKey | NZYHGHUWOHDUSJ-UHFFFAOYSA-N |
Chemical Property Profile of Pentanoic acid, 2-methyl-3-oxo-, phenylmethyl ester
Property Insights of Pentanoic acid, 2-methyl-3-oxo-, phenylmethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanoic acid, 2-methyl-3-oxo-, phenylmethyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Pentanoic acid, 2-methyl-3-oxo-, phenylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 2-methyl-3-oxo-, phenylmethyl 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
What is the CAS number of Pentanoic acid, 2-methyl-3-oxo-, phenylmethyl ester?
The CAS number of Pentanoic acid, 2-methyl-3-oxo-, phenylmethyl ester is 162662-03-5.
What is the molecular formula of Pentanoic acid, 2-methyl-3-oxo-, phenylmethyl ester?
The molecular formula of Pentanoic acid, 2-methyl-3-oxo-, phenylmethyl ester is C13H16O3.
What is the molecular weight of Pentanoic acid, 2-methyl-3-oxo-, phenylmethyl ester?
The molecular weight of Pentanoic acid, 2-methyl-3-oxo-, phenylmethyl ester is 220.10994 g/mol.
Where can I buy Pentanoic acid, 2-methyl-3-oxo-, phenylmethyl ester?
You can request a quote for Pentanoic acid, 2-methyl-3-oxo-, phenylmethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentanoic acid, 2-methyl-3-oxo-, phenylmethyl ester?
Yes, CoreyChem provides custom synthesis services for Pentanoic acid, 2-methyl-3-oxo-, phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.