3-(2,4,5-Trichlorophenoxy)propane-1,2-diyl diacetate
TL;DR: 3-(2,4,5-Trichlorophenoxy)propane-1,2-diyl diacetate (CAS 6964-25-6) is a chemical compound with molecular formula C13H13Cl3O5 and molecular weight 353.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-3-(2,4,5-trichlorophenoxy)propyl] acetate
Also Known As: 3-(2,4,5-trichlorophenoxy)propane-1,2-diyl diacetate, [2-acetyloxy-3-(2,4,5-trichlorophenoxy)propyl] acetate, 1,2-Propanediol,3-(2,4,5-trichlorophenoxy)-, 1,2-diacetate
| Molecular Formula | C13H13Cl3O5 |
|---|---|
| Molecular Weight | 353.98 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 353.98285 |
| Heavy Atoms | 21 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 6964-25-6 |
|---|---|
| SMILES | CC(=O)OCC(COC1=CC(=C(C=C1Cl)Cl)Cl)OC(=O)C |
| InChIKey | HSYXGVVMQJQPBX-UHFFFAOYSA-N |
Product Overview
3-(2,4,5-Trichlorophenoxy)propane-1,2-diyl diacetate (CAS 6964-25-6), with molecular formula C13H13Cl3O5 and molecular weight 353.98 g/mol. IUPAC: [2-acetyloxy-3-(2,4,5-trichlorophenoxy)propyl] acetate.
Chemical Property Profile of 3-(2,4,5-Trichlorophenoxy)propane-1,2-diyl diacetate
Property Insights of 3-(2,4,5-Trichlorophenoxy)propane-1,2-diyl diacetate
The XLogP value of 3.6 indicates that 3-(2,4,5-Trichlorophenoxy)propane-1,2-diyl diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,4,5-Trichlorophenoxy)propane-1,2-diyl diacetate. Following Lipinski's Rule of Five, 3-(2,4,5-Trichlorophenoxy)propane-1,2-diyl diacetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2,4,5-Trichlorophenoxy)propane-1,2-diyl diacetate?
The CAS number of 3-(2,4,5-Trichlorophenoxy)propane-1,2-diyl diacetate is 6964-25-6.
What is the molecular formula of 3-(2,4,5-Trichlorophenoxy)propane-1,2-diyl diacetate?
The molecular formula of 3-(2,4,5-Trichlorophenoxy)propane-1,2-diyl diacetate is C13H13Cl3O5.
What is the molecular weight of 3-(2,4,5-Trichlorophenoxy)propane-1,2-diyl diacetate?
The molecular weight of 3-(2,4,5-Trichlorophenoxy)propane-1,2-diyl diacetate is 353.98 g/mol.
Where can I buy 3-(2,4,5-Trichlorophenoxy)propane-1,2-diyl diacetate?
You can request a quote for 3-(2,4,5-Trichlorophenoxy)propane-1,2-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4,5-Trichlorophenoxy)propane-1,2-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4,5-Trichlorophenoxy)propane-1,2-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.