![4-[4-(2-Carboxybenzoyl)phenyl]butyric acid structure](/static/products/808/80866-86-0.png)
4-[4-(2-Carboxybenzoyl)phenyl]butyric acid
TL;DR: 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid (CAS 80866-86-0) is a chemical compound with molecular formula C18H16O5 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-carboxypropyl)benzoyl]benzoic acid
Also Known As: 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid, 2-[4-(3-carboxypropyl)benzoyl]benzoic acid, 4-(2-Carboxybenzoyl)benzenebutyric acid, EINECS 279-590-9, 4-[4- PHENYL]BUTYRICACID
| Molecular Formula | C18H16O5 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 3.0231 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.09976 |
| Heavy Atoms | 23 |
| Complexity | 731.3321 |
Chemical Identifiers
| CAS Number | 80866-86-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)CCCC(=O)O)C(=O)O |
Product Overview
4-[4-(2-Carboxybenzoyl)phenyl]butyric acid (CAS 80866-86-0), with molecular formula C18H16O5 and molecular weight 312.10 g/mol. IUPAC: 2-[4-(3-carboxypropyl)benzoyl]benzoic acid.
Chemical Property Profile of 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid
Property Insights of 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid
The XLogP value of 3.0231 indicates that 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid. Following Lipinski's Rule of Five, 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid has 2 hydrogen bond donor(s) and 3 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 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid?
The CAS number of 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid is 80866-86-0.
What is the molecular formula of 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid?
The molecular formula of 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid is C18H16O5.
What is the molecular weight of 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid?
The molecular weight of 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid is 312.10 g/mol.
Where can I buy 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid?
You can request a quote for 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.