![2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid structure](/static/products/7507/7507-60-0.webp)
2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid
TL;DR: 2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid (CAS 7507-60-0) is a chemical compound with molecular formula C16H22O4 and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3,4,5-trimethylphenyl)propyl]butanedioic acid
Also Known As: 2-[3-(3,4,5-trimethylphenyl)propyl]butanedioic acid
| Molecular Formula | C16H22O4 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.1518 |
| Heavy Atoms | 20 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 7507-60-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)C)CCCC(CC(=O)O)C(=O)O |
| InChIKey | QKOZXSDYSXVDQD-UHFFFAOYSA-N |
Product Overview
2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid (CAS 7507-60-0), with molecular formula C16H22O4 and molecular weight 278.15 g/mol. IUPAC: 2-[3-(3,4,5-trimethylphenyl)propyl]butanedioic acid.
Chemical Property Profile of 2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid
Property Insights of 2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid
The XLogP value of 3.2 indicates that 2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid. Following Lipinski's Rule of Five, 2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid has 2 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 2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid?
The CAS number of 2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid is 7507-60-0.
What is the molecular formula of 2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid?
The molecular formula of 2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid is C16H22O4.
What is the molecular weight of 2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid?
The molecular weight of 2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid is 278.15 g/mol.
Where can I buy 2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid?
You can request a quote for 2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(3,4,5-Trimethylphenyl)propyl]butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.