Dovitinib supplier | CasNO.915769-50-5

Name
Dovitinib
EINECS 691-732-5
CAS No. 915769-50-5
Density
Solubility
Melting Point
Formula C₂₁H₂₁FN₆O^.C₃H₆O₃^.H₂O
Boiling Point
Molecular Weight 500.53
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Amino-5-fluoro-3-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-2(1H)-quinolinone 2-hydroxypropanoate hydrate (1:1:1);
PSA 160.80000
LogP 2.51610

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

Conditions	Yield
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.

Product Name

Dovitinib

Synthetic route

Dovitinib Specification

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