1,2,3-Propanetriyl tris(bromoacetate)
TL;DR: 1,2,3-Propanetriyl tris(bromoacetate) (CAS 64503-08-8) is a chemical compound with molecular formula C9H11Br3O6 and molecular weight 451.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis[(2-bromoacetyl)oxy]propyl 2-bromoacetate
Also Known As: 1,2,3-propanetriyltris, 1,2,3-Propanetriyl tris(bromoacetate), 1,2,3-Tris(bromoacetoxy)propane, propane-1,2,3-triyl tris(bromoacetate), Acetic acid, 1,2,3-propanetriyl ester
| Molecular Formula | C9H11Br3O6 |
|---|---|
| Molecular Weight | 451.81 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 453.80853 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 64503-08-8 |
|---|---|
| SMILES | C(C(COC(=O)CBr)OC(=O)CBr)OC(=O)CBr |
| InChIKey | CJUOWAWICLNGCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Propanetriyl tris(bromoacetate) (CAS 64503-08-8), with molecular formula C9H11Br3O6 and molecular weight 451.81 g/mol. IUPAC: 2,3-bis[(2-bromoacetyl)oxy]propyl 2-bromoacetate.
Chemical Property Profile of 1,2,3-Propanetriyl tris(bromoacetate)
Property Insights of 1,2,3-Propanetriyl tris(bromoacetate)
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Propanetriyl tris(bromoacetate). The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Propanetriyl tris(bromoacetate). Following Lipinski's Rule of Five, 1,2,3-Propanetriyl tris(bromoacetate) has 0 hydrogen bond donor(s) and 6 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 1,2,3-Propanetriyl tris(bromoacetate)?
The CAS number of 1,2,3-Propanetriyl tris(bromoacetate) is 64503-08-8.
What is the molecular formula of 1,2,3-Propanetriyl tris(bromoacetate)?
The molecular formula of 1,2,3-Propanetriyl tris(bromoacetate) is C9H11Br3O6.
What is the molecular weight of 1,2,3-Propanetriyl tris(bromoacetate)?
The molecular weight of 1,2,3-Propanetriyl tris(bromoacetate) is 451.81 g/mol.
Where can I buy 1,2,3-Propanetriyl tris(bromoacetate)?
You can request a quote for 1,2,3-Propanetriyl tris(bromoacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Propanetriyl tris(bromoacetate)?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Propanetriyl tris(bromoacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.