Diethyl 4-bromophenyl phosphate
TL;DR: Diethyl 4-bromophenyl phosphate (CAS 16498-01-4) is a chemical compound with molecular formula C10H14BrO4P and molecular weight 307.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl) diethyl phosphate
Also Known As: Diethyl 4-bromophenyl phosphate, (4-bromophenyl)diethylphosphate, 4-BROMOPHENYL DIETHYL PHOSPHATE, (4-bromophenyl) diethyl phosphate, Phosphoric acid, 4-bromophenyl diethyl ester
| Molecular Formula | C10H14BrO4P |
|---|---|
| Molecular Weight | 307.98 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.98132 |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 16498-01-4 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC1=CC=C(C=C1)Br |
| InChIKey | VFNLVHJJCJDLRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 4-bromophenyl phosphate (CAS 16498-01-4), with molecular formula C10H14BrO4P and molecular weight 307.98 g/mol. IUPAC: (4-bromophenyl) diethyl phosphate.
Chemical Property Profile of Diethyl 4-bromophenyl phosphate
Property Insights of Diethyl 4-bromophenyl phosphate
The XLogP value of 3.0 indicates that Diethyl 4-bromophenyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Diethyl 4-bromophenyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 4-bromophenyl phosphate 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 Diethyl 4-bromophenyl phosphate?
The CAS number of Diethyl 4-bromophenyl phosphate is 16498-01-4.
What is the molecular formula of Diethyl 4-bromophenyl phosphate?
The molecular formula of Diethyl 4-bromophenyl phosphate is C10H14BrO4P.
What is the molecular weight of Diethyl 4-bromophenyl phosphate?
The molecular weight of Diethyl 4-bromophenyl phosphate is 307.98 g/mol.
Where can I buy Diethyl 4-bromophenyl phosphate?
You can request a quote for Diethyl 4-bromophenyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 4-bromophenyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4-bromophenyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.