(2-(1,3-Didecanoyloxy)-propyl)2-acetyloxybenzoate
TL;DR: (2-(1,3-Didecanoyloxy)-propyl)2-acetyloxybenzoate (CAS 72845-89-7) is a chemical compound with molecular formula C32H50O8 and molecular weight 562.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-di(decanoyloxy)propan-2-yl 2-acetyloxybenzoate
Also Known As: A-45474, 1,3-di(decanoyloxy)propan-2-yl 2-acetyloxybenzoate, A 45474, (2-(1,3-Didecanoyloxy)-propyl)2-acetyloxybenzoate, Benzoic acid, 2-(acetyloxy)-, 2-((1-oxodecyl)oxy)-1-(((1-oxodecyl)oxy)methyl)ethyl ester
| Molecular Formula | C32H50O8 |
|---|---|
| Molecular Weight | 562.35 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 27 |
| Exact Mass | 562.3506 |
| Heavy Atoms | 40 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 72845-89-7 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)C1=CC=CC=C1OC(=O)C |
| InChIKey | XYOVJZNSNDHZKJ-UHFFFAOYSA-N |
Product Overview
(2-(1,3-Didecanoyloxy)-propyl)2-acetyloxybenzoate (CAS 72845-89-7), with molecular formula C32H50O8 and molecular weight 562.35 g/mol. IUPAC: 1,3-di(decanoyloxy)propan-2-yl 2-acetyloxybenzoate.
Chemical Property Profile of (2-(1,3-Didecanoyloxy)-propyl)2-acetyloxybenzoate
Property Insights of (2-(1,3-Didecanoyloxy)-propyl)2-acetyloxybenzoate
The XLogP value of 9.7 indicates that (2-(1,3-Didecanoyloxy)-propyl)2-acetyloxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-(1,3-Didecanoyloxy)-propyl)2-acetyloxybenzoate. Following Lipinski's Rule of Five, (2-(1,3-Didecanoyloxy)-propyl)2-acetyloxybenzoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-(1,3-Didecanoyloxy)-propyl)2-acetyloxybenzoate?
The CAS number of (2-(1,3-Didecanoyloxy)-propyl)2-acetyloxybenzoate is 72845-89-7.
What is the molecular formula of (2-(1,3-Didecanoyloxy)-propyl)2-acetyloxybenzoate?
The molecular formula of (2-(1,3-Didecanoyloxy)-propyl)2-acetyloxybenzoate is C32H50O8.
What is the molecular weight of (2-(1,3-Didecanoyloxy)-propyl)2-acetyloxybenzoate?
The molecular weight of (2-(1,3-Didecanoyloxy)-propyl)2-acetyloxybenzoate is 562.35 g/mol.
Where can I buy (2-(1,3-Didecanoyloxy)-propyl)2-acetyloxybenzoate?
You can request a quote for (2-(1,3-Didecanoyloxy)-propyl)2-acetyloxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-(1,3-Didecanoyloxy)-propyl)2-acetyloxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-(1,3-Didecanoyloxy)-propyl)2-acetyloxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.