3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid
TL;DR: 3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid (CAS 845781-36-4) 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.
3-methyl-5-(3-methylphenyl)-5-oxopentanoic acid
Also Known As: 3-Methyl-5-oxo-5-(m-tolyl)pentanoic acid, 3-METHYL-5-(3-METHYLPHENYL)-5-OXOVALERIC ACID, 5-(3-Methylphenyl)-3-methyl-5-oxovaleric acid, 3-methyl-5-(3-methylphenyl)-5-oxopentanoic acid, 3-Methyl-5-oxo-5-(m-tolyl)pentanoicacid
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.67862 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 395.9191 |
Chemical Identifiers
| CAS Number | 845781-36-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)CC(C)CC(=O)O |
Product Overview
3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid (CAS 845781-36-4), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: 3-methyl-5-(3-methylphenyl)-5-oxopentanoic acid.
Chemical Property Profile of 3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid
Property Insights of 3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid
The XLogP value of 2.67862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid has 1 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 3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid?
The CAS number of 3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid is 845781-36-4.
What is the molecular formula of 3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid?
The molecular formula of 3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid is C13H16O3.
What is the molecular weight of 3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid?
The molecular weight of 3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid is 220.11 g/mol.
Where can I buy 3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid?
You can request a quote for 3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-(3-methylphenyl)-5-oxovaleric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.