1,3-Benzenedibutanoic acid
TL;DR: 1,3-Benzenedibutanoic acid (CAS 54698-75-8) 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.
4-[3-(3-carboxypropyl)phenyl]butanoic acid
Also Known As: 1,3-Benzenedibutanoic acid, starbld0044743, Phenylbutyrate Impurity 9, 4,4'-(1,3-Phenylene)dibutanoic acid, 4-[3-(3-carboxypropyl)phenyl]butanoic Acid
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.5012 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 376.75995 |
Chemical Identifiers
| CAS Number | 54698-75-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)CCCC(=O)O)CCCC(=O)O |
Product Overview
1,3-Benzenedibutanoic acid (CAS 54698-75-8), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 4-[3-(3-carboxypropyl)phenyl]butanoic acid.
Chemical Property Profile of 1,3-Benzenedibutanoic acid
Property Insights of 1,3-Benzenedibutanoic acid
The XLogP value of 2.5012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedibutanoic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenedibutanoic acid. Following Lipinski's Rule of Five, 1,3-Benzenedibutanoic acid has 2 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 1,3-Benzenedibutanoic acid?
The CAS number of 1,3-Benzenedibutanoic acid is 54698-75-8.
What is the molecular formula of 1,3-Benzenedibutanoic acid?
The molecular formula of 1,3-Benzenedibutanoic acid is C14H18O4.
What is the molecular weight of 1,3-Benzenedibutanoic acid?
The molecular weight of 1,3-Benzenedibutanoic acid is 250.12 g/mol.
Where can I buy 1,3-Benzenedibutanoic acid?
You can request a quote for 1,3-Benzenedibutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedibutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedibutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.