Phosphorobromidochloridic acid, 3-bromo-2,2-dimethylpropyl ester
TL;DR: Phosphorobromidochloridic acid, 3-bromo-2,2-dimethylpropyl ester (CAS 52463-50-0) is a chemical compound with molecular formula C5H10Br2ClO2P and molecular weight 325.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3-[bromo(chloro)phosphoryl]oxy-2,2-dimethylpropane
Also Known As: 3-Bromo-2,2-dimethylpropyl bromochlorophosphate, 2,2-Dimethyl-3-bromopropylbromochlorophosphate, Phosphorobromidochloridic acid, 3-bromo-2,2-dimethylpropyl ester, 3-bromo-2,2-dimethylpropyl phosphorobromidochloridate, 3-bromo-2,2-dimethylpropyl bromophosphonochloridate
| Molecular Formula | C5H10Br2ClO2P |
|---|---|
| Molecular Weight | 325.85 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.8453 |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 52463-50-0 |
|---|---|
| SMILES | CC(C)(COP(=O)(Cl)Br)CBr |
| InChIKey | WAXPIYHHPONHIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorobromidochloridic acid, 3-bromo-2,2-dimethylpropyl ester (CAS 52463-50-0), with molecular formula C5H10Br2ClO2P and molecular weight 325.85 g/mol. IUPAC: 1-bromo-3-[bromo(chloro)phosphoryl]oxy-2,2-dimethylpropane.
Chemical Property Profile of Phosphorobromidochloridic acid, 3-bromo-2,2-dimethylpropyl ester
Property Insights of Phosphorobromidochloridic acid, 3-bromo-2,2-dimethylpropyl ester
The XLogP value of 3.1 indicates that Phosphorobromidochloridic acid, 3-bromo-2,2-dimethylpropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phosphorobromidochloridic acid, 3-bromo-2,2-dimethylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorobromidochloridic acid, 3-bromo-2,2-dimethylpropyl ester has 0 hydrogen bond donor(s) and 2 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 Phosphorobromidochloridic acid, 3-bromo-2,2-dimethylpropyl ester?
The CAS number of Phosphorobromidochloridic acid, 3-bromo-2,2-dimethylpropyl ester is 52463-50-0.
What is the molecular formula of Phosphorobromidochloridic acid, 3-bromo-2,2-dimethylpropyl ester?
The molecular formula of Phosphorobromidochloridic acid, 3-bromo-2,2-dimethylpropyl ester is C5H10Br2ClO2P.
What is the molecular weight of Phosphorobromidochloridic acid, 3-bromo-2,2-dimethylpropyl ester?
The molecular weight of Phosphorobromidochloridic acid, 3-bromo-2,2-dimethylpropyl ester is 325.85 g/mol.
Where can I buy Phosphorobromidochloridic acid, 3-bromo-2,2-dimethylpropyl ester?
You can request a quote for Phosphorobromidochloridic acid, 3-bromo-2,2-dimethylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorobromidochloridic acid, 3-bromo-2,2-dimethylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorobromidochloridic acid, 3-bromo-2,2-dimethylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.