2,2-Bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate)
TL;DR: 2,2-Bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate) (CAS 5305-82-8) is a chemical compound with molecular formula C5H8Cl6O4P2 and molecular weight 403.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-(chloromethyl)-3-dichlorophosphoryloxy-2-(dichlorophosphoryloxymethyl)propane
Also Known As: 2,2-bis propane-1,3-diylbis, 2,2-bis(chloromethyl)propane-1,3-diyl bis(phosphorodichloridate), 2,2-Bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate), 2,2-bis(chloromethyl)propane-1,3-diyl diphosphorodichloridate, 2,2-Bis-(chloromethyl)propane-1,3-diyl bis(dichlorophosphate)
| Molecular Formula | C5H8Cl6O4P2 |
|---|---|
| Molecular Weight | 403.80 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.79996 |
| Heavy Atoms | 17 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 5305-82-8 |
|---|---|
| SMILES | C(C(COP(=O)(Cl)Cl)(CCl)CCl)OP(=O)(Cl)Cl |
| InChIKey | TZPHRHGGIAEPLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate) (CAS 5305-82-8), with molecular formula C5H8Cl6O4P2 and molecular weight 403.80 g/mol. IUPAC: 1-chloro-2-(chloromethyl)-3-dichlorophosphoryloxy-2-(dichlorophosphoryloxymethyl)propane.
Chemical Property Profile of 2,2-Bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate)
Property Insights of 2,2-Bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate)
The XLogP value of 3.1 indicates that 2,2-Bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2,2-Bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate) 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 2,2-Bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate)?
The CAS number of 2,2-Bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate) is 5305-82-8.
What is the molecular formula of 2,2-Bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate)?
The molecular formula of 2,2-Bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate) is C5H8Cl6O4P2.
What is the molecular weight of 2,2-Bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate)?
The molecular weight of 2,2-Bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate) is 403.80 g/mol.
Where can I buy 2,2-Bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate)?
You can request a quote for 2,2-Bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate)?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.