TL;DR: K6UU3AT81T (CAS 66108-37-0) is a chemical compound with molecular formula C11H18Br2Cl5O4P and molecular weight 577.7752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2,2-bis(bromomethyl)-3-chloropropyl] bis(1,3-dichloropropan-2-yl) phosphate
Also Known As: MC 984, 2,2-Bis(bromomethyl)-3-chloropropyl bis(2-chloro-1-(chloromethyl)ethyl) phosphate, 2,2-bis -3-chloropropylbis[2-chloro-1- ethyl]phosphate, bis(1,3-dichloro-2-propyl)-3-chloro-2,2-dibromomethyl-1-propyl phosphate, 2,2-BIS(BROMOMETHYL)-3-CHLOROPROPYL BIS(2-CHLORO-1-(CHLOROMETHYL)ETHYL)PHOSPHATE
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H18Br2Cl5O4P |
| Molecular Weight | 577.7752 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 581.7702 Da |
| Heavy Atoms | 23 |
| Complexity | 339.0 |
| SMILES | C(C(CCl)OP(=O)(OCC(CCl)(CBr)CBr)OC(CCl)CCl)Cl |
| InChIKey | XPNOZWKYSGBXLU-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that K6UU3AT81T is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, K6UU3AT81T exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, K6UU3AT81T has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of K6UU3AT81T is 66108-37-0.
The molecular formula of K6UU3AT81T is C11H18Br2Cl5O4P.
The molecular weight of K6UU3AT81T is 577.7752 g/mol.
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