Dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate
TL;DR: Dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate (CAS 89125-43-9) is a chemical compound with molecular formula C4H8Br3O4P and molecular weight 387.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-tribromo-1-dimethoxyphosphorylethanol
Also Known As: 2,2,2-tribromo-1-dimethoxyphosphorylethanol, Acetyl chloride,2-[(2-chloroethyl)thio], dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate, Phosphonic acid,(2,2,2-tribromo-1-hydroxyethyl)-, dimethyl ester (7CI)
| Molecular Formula | C4H8Br3O4P |
|---|---|
| Molecular Weight | 387.77 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.77103 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 89125-43-9 |
|---|---|
| SMILES | COP(=O)(C(C(Br)(Br)Br)O)OC |
| InChIKey | XDEUQGWSPGVPSM-UHFFFAOYSA-N |
Product Overview
Dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate (CAS 89125-43-9), with molecular formula C4H8Br3O4P and molecular weight 387.77 g/mol. IUPAC: 2,2,2-tribromo-1-dimethoxyphosphorylethanol.
Chemical Property Profile of Dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate
Property Insights of Dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate. With a topological polar surface area (TPSA) of 55.8 Ų, Dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate has 1 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 Dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate?
The CAS number of Dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate is 89125-43-9.
What is the molecular formula of Dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate?
The molecular formula of Dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate is C4H8Br3O4P.
What is the molecular weight of Dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate?
The molecular weight of Dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate is 387.77 g/mol.
Where can I buy Dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate?
You can request a quote for Dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (2,2,2-tribromo-1-hydroxyethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.