3,3'-(2,5-Dimethylbenzene-1,4-diyl)dipropanoic acid
TL;DR: 3,3'-(2,5-Dimethylbenzene-1,4-diyl)dipropanoic acid (CAS 5312-05-0) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-carboxyethyl)-2,5-dimethylphenyl]propanoic acid
Also Known As: 3,3'-(2,5-dimethylbenzene-1,4-diyl)dipropanoic acid, 3,3'-(2,5-dimethyl-1,4-phenylene)dipropanoic acid, 3-[4-(2-carboxyethyl)-2,5-dimethylphenyl]propanoic acid
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 5312-05-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1CCC(=O)O)C)CCC(=O)O |
| InChIKey | VHASQTZEUDZMIX-UHFFFAOYSA-N |
Product Overview
3,3'-(2,5-Dimethylbenzene-1,4-diyl)dipropanoic acid (CAS 5312-05-0), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 3-[4-(2-carboxyethyl)-2,5-dimethylphenyl]propanoic acid.
Chemical Property Profile of 3,3'-(2,5-Dimethylbenzene-1,4-diyl)dipropanoic acid
Property Insights of 3,3'-(2,5-Dimethylbenzene-1,4-diyl)dipropanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-(2,5-Dimethylbenzene-1,4-diyl)dipropanoic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-(2,5-Dimethylbenzene-1,4-diyl)dipropanoic acid. Following Lipinski's Rule of Five, 3,3'-(2,5-Dimethylbenzene-1,4-diyl)dipropanoic 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 3,3'-(2,5-Dimethylbenzene-1,4-diyl)dipropanoic acid?
The CAS number of 3,3'-(2,5-Dimethylbenzene-1,4-diyl)dipropanoic acid is 5312-05-0.
What is the molecular formula of 3,3'-(2,5-Dimethylbenzene-1,4-diyl)dipropanoic acid?
The molecular formula of 3,3'-(2,5-Dimethylbenzene-1,4-diyl)dipropanoic acid is C14H18O4.
What is the molecular weight of 3,3'-(2,5-Dimethylbenzene-1,4-diyl)dipropanoic acid?
The molecular weight of 3,3'-(2,5-Dimethylbenzene-1,4-diyl)dipropanoic acid is 250.12 g/mol.
Where can I buy 3,3'-(2,5-Dimethylbenzene-1,4-diyl)dipropanoic acid?
You can request a quote for 3,3'-(2,5-Dimethylbenzene-1,4-diyl)dipropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(2,5-Dimethylbenzene-1,4-diyl)dipropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(2,5-Dimethylbenzene-1,4-diyl)dipropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.