Benzoic acid, 2-(4-dodecylbenzoyl)-
TL;DR: Benzoic acid, 2-(4-dodecylbenzoyl)- (CAS 59581-76-9) is a chemical compound with molecular formula C26H34O3 and molecular weight 394.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-dodecylbenzoyl)benzoic acid
Also Known As: 2-(4-dodecylbenzoyl)benzoic acid, Benzoic acid, 2-(4-dodecylbenzoyl)-, 2-(4'-Dodecylbenzoyl)benzoic acid, 2-(4-dodecyl-benzoyl)-benzoic acid, RefChem:565424
| Molecular Formula | C26H34O3 |
|---|---|
| Molecular Weight | 394.25 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 394.2508 |
| Heavy Atoms | 29 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 59581-76-9 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | UVZVUCQBMKTREQ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-(4-dodecylbenzoyl)- (CAS 59581-76-9), with molecular formula C26H34O3 and molecular weight 394.25 g/mol. IUPAC: 2-(4-dodecylbenzoyl)benzoic acid.
Chemical Property Profile of Benzoic acid, 2-(4-dodecylbenzoyl)-
Property Insights of Benzoic acid, 2-(4-dodecylbenzoyl)-
The XLogP value of 8.7 indicates that Benzoic acid, 2-(4-dodecylbenzoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Benzoic acid, 2-(4-dodecylbenzoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(4-dodecylbenzoyl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-(4-dodecylbenzoyl)-?
The CAS number of Benzoic acid, 2-(4-dodecylbenzoyl)- is 59581-76-9.
What is the molecular formula of Benzoic acid, 2-(4-dodecylbenzoyl)-?
The molecular formula of Benzoic acid, 2-(4-dodecylbenzoyl)- is C26H34O3.
What is the molecular weight of Benzoic acid, 2-(4-dodecylbenzoyl)-?
The molecular weight of Benzoic acid, 2-(4-dodecylbenzoyl)- is 394.25 g/mol.
Where can I buy Benzoic acid, 2-(4-dodecylbenzoyl)-?
You can request a quote for Benzoic acid, 2-(4-dodecylbenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-(4-dodecylbenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(4-dodecylbenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.