TL;DR: 2,2-Bis(chloromethyl)-1,3-propanediyl bis(bis(2-chloroethyl) phosphate) (CAS 38051-10-4) is a chemical compound with molecular formula C13H24Cl6O8P2 and molecular weight 579.9078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[bis(2-chloroethoxy)phosphoryloxymethyl]-3-chloro-2-(chloromethyl)propyl] bis(2-chloroethyl) phosphate
Also Known As: Antiblaze V6, Phosgard 2xc20, Antiblaze 100, Amgard V 6, PHOSGARD 2XC-20
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H24Cl6O8P2 |
| Molecular Weight | 579.9078 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 89.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 581.9048 Da |
| Heavy Atoms | 29 |
| Complexity | 450.0 |
| SMILES | C(CCl)OP(=O)(OCCCl)OCC(COP(=O)(OCCCl)OCCCl)(CCl)CCl |
| InChIKey | ZGHUDSLVQAGWEY-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Bis(chloromethyl)-1,3-propanediyl bis(bis(2-chloroethyl) phosphate). The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Bis(chloromethyl)-1,3-propanediyl bis(bis(2-chloroethyl) phosphate). Following Lipinski's Rule of Five, 2,2-Bis(chloromethyl)-1,3-propanediyl bis(bis(2-chloroethyl) phosphate) has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,2-Bis(chloromethyl)-1,3-propanediyl bis(bis(2-chloroethyl) phosphate) is 38051-10-4.
The molecular formula of 2,2-Bis(chloromethyl)-1,3-propanediyl bis(bis(2-chloroethyl) phosphate) is C13H24Cl6O8P2.
The molecular weight of 2,2-Bis(chloromethyl)-1,3-propanediyl bis(bis(2-chloroethyl) phosphate) is 579.9078 g/mol.
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