Propane-1,2-diyl bis(trichloroacetate)
TL;DR: Propane-1,2-diyl bis(trichloroacetate) (CAS 3172-07-4) is a chemical compound with molecular formula C7H6Cl6O4 and molecular weight 363.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2,2-trichloroacetyl)oxypropyl 2,2,2-trichloroacetate
Also Known As: propane-1,2-diyl bis(trichloroacetate), NCIOpen2_007649, propane-1,2-diyl bis(2,2,2-trichloroacetate), 2-(2,2,2-trichloroacetyl)oxypropyl 2,2,2-trichloroacetate, RefChem:374310
| Molecular Formula | C7H6Cl6O4 |
|---|---|
| Molecular Weight | 363.84 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.83972 |
| Heavy Atoms | 17 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 3172-07-4 |
|---|---|
| SMILES | CC(COC(=O)C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl |
| InChIKey | WTHPIPMJBLGHHQ-UHFFFAOYSA-N |
Product Overview
Propane-1,2-diyl bis(trichloroacetate) (CAS 3172-07-4), with molecular formula C7H6Cl6O4 and molecular weight 363.84 g/mol. IUPAC: 2-(2,2,2-trichloroacetyl)oxypropyl 2,2,2-trichloroacetate.
Chemical Property Profile of Propane-1,2-diyl bis(trichloroacetate)
Property Insights of Propane-1,2-diyl bis(trichloroacetate)
The XLogP value of 4.1 indicates that Propane-1,2-diyl bis(trichloroacetate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Propane-1,2-diyl bis(trichloroacetate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propane-1,2-diyl bis(trichloroacetate) has 0 hydrogen bond donor(s) and 4 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 Propane-1,2-diyl bis(trichloroacetate)?
The CAS number of Propane-1,2-diyl bis(trichloroacetate) is 3172-07-4.
What is the molecular formula of Propane-1,2-diyl bis(trichloroacetate)?
The molecular formula of Propane-1,2-diyl bis(trichloroacetate) is C7H6Cl6O4.
What is the molecular weight of Propane-1,2-diyl bis(trichloroacetate)?
The molecular weight of Propane-1,2-diyl bis(trichloroacetate) is 363.84 g/mol.
Where can I buy Propane-1,2-diyl bis(trichloroacetate)?
You can request a quote for Propane-1,2-diyl bis(trichloroacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propane-1,2-diyl bis(trichloroacetate)?
Yes, KEHONG BIO provides custom synthesis services for Propane-1,2-diyl bis(trichloroacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.