Methyl 4-(4-hexylbenzoyl)benzoate
TL;DR: Methyl 4-(4-hexylbenzoyl)benzoate (CAS 108418-18-4) is a chemical compound with molecular formula C21H24O3 and molecular weight 324.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-hexylbenzoyl)benzoate
Also Known As: Methyl 4-(4-hexylbenzoyl)benzoate, Benzoic acid, 4-(4-hexylbenzoyl)-, methyl ester
| Molecular Formula | C21H24O3 |
|---|---|
| Molecular Weight | 324.17 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 324.17255 |
| Heavy Atoms | 24 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 108418-18-4 |
|---|---|
| SMILES | CCCCCCC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OC |
| InChIKey | KXDUINUWTNOAGA-UHFFFAOYSA-N |
Product Overview
Methyl 4-(4-hexylbenzoyl)benzoate (CAS 108418-18-4), with molecular formula C21H24O3 and molecular weight 324.17 g/mol. IUPAC: methyl 4-(4-hexylbenzoyl)benzoate.
Chemical Property Profile of Methyl 4-(4-hexylbenzoyl)benzoate
Property Insights of Methyl 4-(4-hexylbenzoyl)benzoate
The XLogP value of 6.1 indicates that Methyl 4-(4-hexylbenzoyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 4-(4-hexylbenzoyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(4-hexylbenzoyl)benzoate has 0 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 Methyl 4-(4-hexylbenzoyl)benzoate?
The CAS number of Methyl 4-(4-hexylbenzoyl)benzoate is 108418-18-4.
What is the molecular formula of Methyl 4-(4-hexylbenzoyl)benzoate?
The molecular formula of Methyl 4-(4-hexylbenzoyl)benzoate is C21H24O3.
What is the molecular weight of Methyl 4-(4-hexylbenzoyl)benzoate?
The molecular weight of Methyl 4-(4-hexylbenzoyl)benzoate is 324.17 g/mol.
Where can I buy Methyl 4-(4-hexylbenzoyl)benzoate?
You can request a quote for Methyl 4-(4-hexylbenzoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(4-hexylbenzoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-hexylbenzoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.