Dibenzyl chloromethyl phosphate - CAS 258516-84-6
Catalog: |
BB019050 |
Product Name: |
Dibenzyl chloromethyl phosphate |
CAS: |
258516-84-6 |
Synonyms: |
dibenzyl chloromethyl phosphate |
IUPAC Name: | dibenzyl chloromethyl phosphate |
Description: | Dibenzyl (Chloromethyl) Phosphate acts as a reagent in the screening and synthesis of potent NPP6 inhibitor. |
Molecular Weight: | 326.71 |
Molecular Formula: | C15H16ClO4P |
Canonical SMILES: | C1=CC=C(C=C1)COP(=O)(OCC2=CC=CC=C2)OCCl |
InChI: | InChI=1S/C15H16ClO4P/c16-13-20-21(17,18-11-14-7-3-1-4-8-14)19-12-15-9-5-2-6-10-15/h1-10H,11-13H2 |
InChI Key: | FVTHQGOGQRTOMY-UHFFFAOYSA-N |
Appearance: | Liquid |
MDL: | MFCD16652586 |
LogP: | 4.74100 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021292348-A1 | Antiviral compounds | 20200218 |
WO-2021168004-A1 | Antiviral compounds | 20200218 |
WO-2020234276-A1 | New catecholamine prodrugs for use in the treatment of parkinson's disease | 20190521 |
CN-109400648-A | Bilobalide J derivative and its preparation method and application | 20181123 |
WO-2020103859-A1 | RIP1 Inhibitors | 20181120 |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 326.0474737 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 326.0474737 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 44.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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