4-(4-Phenylbutyl)benzoic acid
TL;DR: 4-(4-Phenylbutyl)benzoic acid (CAS 101335-87-9) is a chemical compound with molecular formula C17H18O2 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-phenylbutyl)benzoic acid
Also Known As: 4-(4-phenylbutyl)benzoic acid, 4-(4-phenylbutyl)-benzoic acid, Benzamide, 4-heptyl-N-hydroxy-N-methyl-, Benzamide, N-hydroxy-N-methyl-4-pentyl-, Benzoic acid, 4-(1-cyclohexen-1-yloxy)-
| Molecular Formula | C17H18O2 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.13068 |
| Heavy Atoms | 19 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 101335-87-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCCC2=CC=C(C=C2)C(=O)O |
| InChIKey | MFLFXVMUUMIQGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Phenylbutyl)benzoic acid (CAS 101335-87-9), with molecular formula C17H18O2 and molecular weight 254.13 g/mol. IUPAC: 4-(4-phenylbutyl)benzoic acid.
Chemical Property Profile of 4-(4-Phenylbutyl)benzoic acid
Property Insights of 4-(4-Phenylbutyl)benzoic acid
The XLogP value of 5.4 indicates that 4-(4-Phenylbutyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(4-Phenylbutyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Phenylbutyl)benzoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-Phenylbutyl)benzoic acid?
The CAS number of 4-(4-Phenylbutyl)benzoic acid is 101335-87-9.
What is the molecular formula of 4-(4-Phenylbutyl)benzoic acid?
The molecular formula of 4-(4-Phenylbutyl)benzoic acid is C17H18O2.
What is the molecular weight of 4-(4-Phenylbutyl)benzoic acid?
The molecular weight of 4-(4-Phenylbutyl)benzoic acid is 254.13 g/mol.
Where can I buy 4-(4-Phenylbutyl)benzoic acid?
You can request a quote for 4-(4-Phenylbutyl)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-(4-Phenylbutyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Phenylbutyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.