2-溴乙醇磷酸酯(3:1)
TL;DR: 2-溴乙醇磷酸酯(3:1) (CAS 27568-90-7) is a chemical compound with molecular formula C6H12Br3O4P and molecular weight 415.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-溴乙醇磷酸酯(3:1)
tris(2-bromoethyl) phosphate
Also Known As: tris(2-bromoethyl) phosphate, Tris(2-bromoethyl)phosphate, Ethanol, 2-bromo-, phosphate (3:1), Phosphoric acid tris(2-bromoethyl), Ethanol, 2-bromo-, 1,1',1''-phosphate
| Molecular Formula | C6H12Br3O4P |
|---|---|
| Molecular Weight | 415.80 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 417.8003 |
| Heavy Atoms | 14 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 27568-90-7 |
|---|---|
| SMILES | C(CBr)OP(=O)(OCCBr)OCCBr |
| InChIKey | FFULTTXGZNPTQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-溴乙醇磷酸酯(3:1) (CAS 27568-90-7), with molecular formula C6H12Br3O4P and molecular weight 415.80 g/mol. IUPAC: tris(2-bromoethyl) phosphate.
Chemical Property Profile of 2-溴乙醇磷酸酯(3:1)
Property Insights of 2-溴乙醇磷酸酯(3:1)
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-溴乙醇磷酸酯(3:1). With a topological polar surface area (TPSA) of 44.8 Ų, 2-溴乙醇磷酸酯(3:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-溴乙醇磷酸酯(3:1) 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 2-溴乙醇磷酸酯(3:1)?
The CAS number of 2-溴乙醇磷酸酯(3:1) is 27568-90-7.
What is the molecular formula of 2-溴乙醇磷酸酯(3:1)?
The molecular formula of 2-溴乙醇磷酸酯(3:1) is C6H12Br3O4P.
What is the molecular weight of 2-溴乙醇磷酸酯(3:1)?
The molecular weight of 2-溴乙醇磷酸酯(3:1) is 415.80 g/mol.
Where can I buy 2-溴乙醇磷酸酯(3:1)?
You can request a quote for 2-溴乙醇磷酸酯(3:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-溴乙醇磷酸酯(3:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-溴乙醇磷酸酯(3:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.