5-(3,4-Dimethoxyphenyl)-3-methyl-5-oxovaleric acid
TL;DR: 5-(3,4-Dimethoxyphenyl)-3-methyl-5-oxovaleric acid (CAS 106591-88-2) is a chemical compound with molecular formula C14H18O5 and molecular weight 266.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethoxyphenyl)-3-methyl-5-oxopentanoic acid
Also Known As: 5-(3,4-Dimethoxyphenyl)-3-methyl-5-oxovaleric acid, 5-(3,4-dimethoxyphenyl)-3-methyl-5-oxopentanoic acid, 3'-Nitro-3'-benzamido-benzoesaeure, 5-(3,4-dimethoxyphenyl)-3-methyl-5-oxo-pentanoic Acid, 5-(3,4-dimethoxyphenyl)-3-methyl-5-oxopentanoicacid
| Molecular Formula | C14H18O5 |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 2.3874 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.11542 |
| Heavy Atoms | 19 |
| Complexity | 466.90417 |
Chemical Identifiers
| CAS Number | 106591-88-2 |
|---|---|
| SMILES | CC(CC(=O)C1=CC(=C(C=C1)OC)OC)CC(=O)O |
Product Overview
5-(3,4-Dimethoxyphenyl)-3-methyl-5-oxovaleric acid (CAS 106591-88-2), with molecular formula C14H18O5 and molecular weight 266.12 g/mol. IUPAC: 5-(3,4-dimethoxyphenyl)-3-methyl-5-oxopentanoic acid.
Chemical Property Profile of 5-(3,4-Dimethoxyphenyl)-3-methyl-5-oxovaleric acid
Property Insights of 5-(3,4-Dimethoxyphenyl)-3-methyl-5-oxovaleric acid
The XLogP value of 2.3874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,4-Dimethoxyphenyl)-3-methyl-5-oxovaleric acid. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,4-Dimethoxyphenyl)-3-methyl-5-oxovaleric acid. Following Lipinski's Rule of Five, 5-(3,4-Dimethoxyphenyl)-3-methyl-5-oxovaleric acid has 1 hydrogen bond donor(s) and 4 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 5-(3,4-Dimethoxyphenyl)-3-methyl-5-oxovaleric acid?
The CAS number of 5-(3,4-Dimethoxyphenyl)-3-methyl-5-oxovaleric acid is 106591-88-2.
What is the molecular formula of 5-(3,4-Dimethoxyphenyl)-3-methyl-5-oxovaleric acid?
The molecular formula of 5-(3,4-Dimethoxyphenyl)-3-methyl-5-oxovaleric acid is C14H18O5.
What is the molecular weight of 5-(3,4-Dimethoxyphenyl)-3-methyl-5-oxovaleric acid?
The molecular weight of 5-(3,4-Dimethoxyphenyl)-3-methyl-5-oxovaleric acid is 266.12 g/mol.
Where can I buy 5-(3,4-Dimethoxyphenyl)-3-methyl-5-oxovaleric acid?
You can request a quote for 5-(3,4-Dimethoxyphenyl)-3-methyl-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 5-(3,4-Dimethoxyphenyl)-3-methyl-5-oxovaleric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-Dimethoxyphenyl)-3-methyl-5-oxovaleric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.