Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester
TL;DR: Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester (CAS 97209-92-2) is a chemical compound with molecular formula C33H50O10 and molecular weight 606.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hexadecanoyloxybutyl 3,4,5-triacetyloxybenzoate
Also Known As: O-Palmitoyl-O-(3,4,5-triacetoxybenzoyl)butane-1,4-diol, BENZOIC ACID, 3,4,5-TRIS(ACETYLOXY)-, 4-((1-OXOHEXADECYL)OXO)BUTYL ESTER, 3,4,5-Tris(acetyloxy)benzoic acid 4-((1-oxohexadecyl)oxo)butyl ester, 4-hexadecanoyloxybutyl 3,4,5-triacetyloxybenzoate, 4-(Hexadecanoyloxy)butyl 3,4,5-tris(acetyloxy)benzoate
| Molecular Formula | C33H50O10 |
|---|---|
| Molecular Weight | 606.34 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 28 |
| Exact Mass | 606.3404 |
| Heavy Atoms | 43 |
| Complexity | 801.0 |
Chemical Identifiers
| CAS Number | 97209-92-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCCCCOC(=O)C1=CC(=C(C(=C1)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | YXZNZYJRWIXIJH-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester (CAS 97209-92-2), with molecular formula C33H50O10 and molecular weight 606.34 g/mol. IUPAC: 4-hexadecanoyloxybutyl 3,4,5-triacetyloxybenzoate.
Chemical Property Profile of Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester
Property Insights of Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester
The XLogP value of 9.0 indicates that Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester has 0 hydrogen bond donor(s) and 10 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, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester?
The CAS number of Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester is 97209-92-2.
What is the molecular formula of Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester?
The molecular formula of Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester is C33H50O10.
What is the molecular weight of Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester?
The molecular weight of Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester is 606.34 g/mol.
Where can I buy Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester?
You can request a quote for Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.