Dimethyl ((4-bromophenyl)methyl)phosphonate
TL;DR: Dimethyl ((4-bromophenyl)methyl)phosphonate (CAS 17211-08-4) is a chemical compound with molecular formula C9H12BrO3P and molecular weight 277.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-(dimethoxyphosphorylmethyl)benzene
Also Known As: Dimethyl (4-bromobenzyl)phosphonate, Dimethyl(4-bromobenzyl)phosphonate, 1-bromo-4-(dimethoxyphosphorylmethyl)benzene, Dimethyl 4-bromobenzylphosphonate, Dimethyl-p-brombenzylphosphonat
| Molecular Formula | C9H12BrO3P |
|---|---|
| Molecular Weight | 277.97 g/mol |
| LogP | 3.435 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.97073 |
| Heavy Atoms | 14 |
| Complexity | 328.41522 |
Chemical Identifiers
| CAS Number | 17211-08-4 |
|---|---|
| SMILES | COP(=O)(CC1=CC=C(C=C1)Br)OC |
Product Overview
Dimethyl ((4-bromophenyl)methyl)phosphonate (CAS 17211-08-4), with molecular formula C9H12BrO3P and molecular weight 277.97 g/mol. IUPAC: 1-bromo-4-(dimethoxyphosphorylmethyl)benzene.
Chemical Property Profile of Dimethyl ((4-bromophenyl)methyl)phosphonate
Property Insights of Dimethyl ((4-bromophenyl)methyl)phosphonate
The XLogP value of 3.435 indicates that Dimethyl ((4-bromophenyl)methyl)phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Dimethyl ((4-bromophenyl)methyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl ((4-bromophenyl)methyl)phosphonate 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 Dimethyl ((4-bromophenyl)methyl)phosphonate?
The CAS number of Dimethyl ((4-bromophenyl)methyl)phosphonate is 17211-08-4.
What is the molecular formula of Dimethyl ((4-bromophenyl)methyl)phosphonate?
The molecular formula of Dimethyl ((4-bromophenyl)methyl)phosphonate is C9H12BrO3P.
What is the molecular weight of Dimethyl ((4-bromophenyl)methyl)phosphonate?
The molecular weight of Dimethyl ((4-bromophenyl)methyl)phosphonate is 277.97 g/mol.
Where can I buy Dimethyl ((4-bromophenyl)methyl)phosphonate?
You can request a quote for Dimethyl ((4-bromophenyl)methyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl ((4-bromophenyl)methyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl ((4-bromophenyl)methyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.