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Dovitinib

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Name

Dovitinib

EINECS 691-732-5
CAS No. 915769-50-5 Density N/A
PSA 160.80000 LogP 2.51610
Solubility N/A Melting Point N/A
Formula C21H21FN6O.C3H6O3.H2O Boiling Point N/A
Molecular Weight 500.53 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 915769-50-5 (Dovitinib) Hazard Symbols N/A
Synonyms

4-Amino-5-fluoro-3-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-2(1H)-quinolinone 2-hydroxypropanoate hydrate (1:1:1);

 

Dovitinib Synthetic route

4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one DL-lactic acid salt

915769-50-5

4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one mono 2-hydroxypropanoate hydrate

Conditions
ConditionsYield
With water In ethanol at 20℃; for 42h; Purification / work up;
at 120℃; for 5h; Neat (no solvent);
With water In butanone at 20℃; for 21h; Purification / work up;
With water In acetonitrile at 50℃; for 24h; Purification / work up;

Dovitinib Specification

1. Introduction of Dovitinib

Dovitinib, with the IUPAC name of (3E)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one, is one kind of white crystalline powder, odorless, little bitter taste. The classification code is treatment of cancer. Additionally, Dovitinib is used as research reagent.

2. Properties of Dovitinib

The other characteristics of this product can be summarized as: (1)H-Bond Donor: 6; (2)H-Bond Acceptor: 11; (3)Rotatable Bond Count: 2; (4)Tautomer Count: 36; (5)Exact Mass: 500.218346; (6)MonoIsotopic Mass: 500.218346; (7)Topological Polar Surface Area: 145; (8)Heavy Atom Count: 36; (9)Complexity: 952; (10)Undefined Atom StereoCenter Count: 1; (11)Defined Bond StereoCenter Count: 1; (12)Covalently-Bonded Unit Count: 3. 

3. Structure Descriptors of Dovitinib

You could convert the following datas into the molecular structure:
1). SMILES:CC(C(=O)O)O.CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4c(c5c(cccc5F)[nH]c4=O)N.O
2). InChI:InChI=1/C21H21FN6O.C3H6O3.H2O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29;1-2(4)3(5)6;/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29);2,4H,1H3,(H,5,6);1H2.

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