4-Bromo-2,5-dichlorophenyl ethyl hydrogen phosphate
TL;DR: 4-Bromo-2,5-dichlorophenyl ethyl hydrogen phosphate (CAS 468-19-9) is a chemical compound with molecular formula C8H8BrCl2O4P and molecular weight 347.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2,5-dichlorophenyl) ethyl hydrogen phosphate
Also Known As: 4-bromo-2,5-dichlorophenyl ethyl hydrogen phosphate, (4-bromo-2,5-dichlorophenyl) ethyl hydrogen phosphate, (4-bromo-2,5-dichloro-phenoxy)-ethoxy-phosphinic Acid, Phosphoric acid, mono(4-bromo-2,5-dichlorophenyl) monoethyl ester, N,4-dimethyl-N-[(1,3,3-trimethylindol-2-yl)methylideneamino]aniline chloride
| Molecular Formula | C8H8BrCl2O4P |
|---|---|
| Molecular Weight | 347.87 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.87207 |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 468-19-9 |
|---|---|
| SMILES | CCOP(=O)(O)OC1=CC(=C(C=C1Cl)Br)Cl |
| InChIKey | LAJWKALQRGFFAV-UHFFFAOYSA-N |
Product Overview
4-Bromo-2,5-dichlorophenyl ethyl hydrogen phosphate (CAS 468-19-9), with molecular formula C8H8BrCl2O4P and molecular weight 347.87 g/mol. IUPAC: (4-bromo-2,5-dichlorophenyl) ethyl hydrogen phosphate.
Chemical Property Profile of 4-Bromo-2,5-dichlorophenyl ethyl hydrogen phosphate
Property Insights of 4-Bromo-2,5-dichlorophenyl ethyl hydrogen phosphate
The XLogP value of 3.5 indicates that 4-Bromo-2,5-dichlorophenyl ethyl hydrogen phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 4-Bromo-2,5-dichlorophenyl ethyl hydrogen phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2,5-dichlorophenyl ethyl hydrogen phosphate 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 4-Bromo-2,5-dichlorophenyl ethyl hydrogen phosphate?
The CAS number of 4-Bromo-2,5-dichlorophenyl ethyl hydrogen phosphate is 468-19-9.
What is the molecular formula of 4-Bromo-2,5-dichlorophenyl ethyl hydrogen phosphate?
The molecular formula of 4-Bromo-2,5-dichlorophenyl ethyl hydrogen phosphate is C8H8BrCl2O4P.
What is the molecular weight of 4-Bromo-2,5-dichlorophenyl ethyl hydrogen phosphate?
The molecular weight of 4-Bromo-2,5-dichlorophenyl ethyl hydrogen phosphate is 347.87 g/mol.
Where can I buy 4-Bromo-2,5-dichlorophenyl ethyl hydrogen phosphate?
You can request a quote for 4-Bromo-2,5-dichlorophenyl ethyl hydrogen phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2,5-dichlorophenyl ethyl hydrogen phosphate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2,5-dichlorophenyl ethyl hydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.