4-(Heptanoyloxy)benzoic acid
TL;DR: 4-(Heptanoyloxy)benzoic acid (CAS 70973-86-3) 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-heptanoyloxybenzoic acid
Also Known As: 4-heptanoyloxybenzoic Acid, 4-(heptanoyloxy)benzoic acid, Benzoic acid, 4-[(1-oxoheptyl)oxy]-
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 3.2606 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 394.75995 |
Chemical Identifiers
| CAS Number | 70973-86-3 |
|---|---|
| SMILES | CCCCCCC(=O)OC1=CC=C(C=C1)C(=O)O |
Product Overview
4-(Heptanoyloxy)benzoic acid (CAS 70973-86-3), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 4-heptanoyloxybenzoic acid.
Chemical Property Profile of 4-(Heptanoyloxy)benzoic acid
Property Insights of 4-(Heptanoyloxy)benzoic acid
The XLogP value of 3.2606 indicates that 4-(Heptanoyloxy)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Heptanoyloxy)benzoic acid. Following Lipinski's Rule of Five, 4-(Heptanoyloxy)benzoic acid has 1 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-(Heptanoyloxy)benzoic acid?
The CAS number of 4-(Heptanoyloxy)benzoic acid is 70973-86-3.
What is the molecular formula of 4-(Heptanoyloxy)benzoic acid?
The molecular formula of 4-(Heptanoyloxy)benzoic acid is C14H18O4.
What is the molecular weight of 4-(Heptanoyloxy)benzoic acid?
The molecular weight of 4-(Heptanoyloxy)benzoic acid is 250.12 g/mol.
Where can I buy 4-(Heptanoyloxy)benzoic acid?
You can request a quote for 4-(Heptanoyloxy)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Heptanoyloxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Heptanoyloxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.