Bromoethylphosphonic acid bis(bromoethyl) ester
TL;DR: Bromoethylphosphonic acid bis(bromoethyl) ester (CAS 78-45-5) is a chemical compound with molecular formula C6H12Br3O3P and molecular weight 399.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-[2-bromoethoxy(2-bromoethyl)phosphoryl]oxyethane
Also Known As: Bis(2-bromoethyl) 2-bromoethylphosphonate, Bromoethylphosphonic acid bis(bromoethyl) ester, Phosphonic acid, bis(2-bromoethyl) ester, Bis(2-bromoethyl) (2-bromoethyl)phosphonate, 1-bromo-2-[2-bromoethoxy(2-bromoethyl)phosphoryl]oxyethane
| Molecular Formula | C6H12Br3O3P |
|---|---|
| Molecular Weight | 399.81 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.80743 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 78-45-5 |
|---|---|
| SMILES | C(CBr)OP(=O)(CCBr)OCCBr |
| InChIKey | KKGVBGGAVZGMKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromoethylphosphonic acid bis(bromoethyl) ester (CAS 78-45-5), with molecular formula C6H12Br3O3P and molecular weight 399.81 g/mol. IUPAC: 1-bromo-2-[2-bromoethoxy(2-bromoethyl)phosphoryl]oxyethane.
Chemical Property Profile of Bromoethylphosphonic acid bis(bromoethyl) ester
Property Insights of Bromoethylphosphonic acid bis(bromoethyl) ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromoethylphosphonic acid bis(bromoethyl) ester. With a topological polar surface area (TPSA) of 35.5 Ų, Bromoethylphosphonic acid bis(bromoethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromoethylphosphonic acid bis(bromoethyl) ester has 0 hydrogen bond donor(s) and 3 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 Bromoethylphosphonic acid bis(bromoethyl) ester?
The CAS number of Bromoethylphosphonic acid bis(bromoethyl) ester is 78-45-5.
What is the molecular formula of Bromoethylphosphonic acid bis(bromoethyl) ester?
The molecular formula of Bromoethylphosphonic acid bis(bromoethyl) ester is C6H12Br3O3P.
What is the molecular weight of Bromoethylphosphonic acid bis(bromoethyl) ester?
The molecular weight of Bromoethylphosphonic acid bis(bromoethyl) ester is 399.81 g/mol.
Where can I buy Bromoethylphosphonic acid bis(bromoethyl) ester?
You can request a quote for Bromoethylphosphonic acid bis(bromoethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromoethylphosphonic acid bis(bromoethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Bromoethylphosphonic acid bis(bromoethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.