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Larotinib

CAT: 0127-BUP01058-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP01058-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1438072-11-7
Purity
=98%
Smiles
N(C=1C2=C(C=C(OC)C(OCCCN3C[C@@]4([C@](C3)(OCCO4)[H])[H])=C2)N=CN1)C5=CC(Cl)=C(F)C=C5

Chemical Information

Larotinib
CAS Number1438072-11-7
PubChem CID89584422
IUPAC Name6-[3-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl]propoxy]-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine
Molecular FormulaC24H26ClFN4O4
Molecular Weight488.9
XLogP3.9
Topological Polar Surface Area78
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity640
SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4C[C@@H]5[C@H](C4)OCCO5
InChI
InChI=1S/C24H26ClFN4O4/c1-31-20-11-19-16(24(28-14-27-19)29-15-3-4-18(26)17(25)9-15)10-21(20)32-6-2-5-30-12-22-23(13-30)34-8-7-33-22/h3-4,9-11,14,22-23H,2,5-8,12-13H2,1H3,(H,27,28,29)/t22-,23+
InChIKey
UFUKZMIXTOMMLU-ZRZAMGCNSA-N
Chemical Structure
2D Structure
2D structure of Larotinib
CAS: 1438072-11-7
CID: 89584422
Formula: C24H26ClFN4O4
MW: 488.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.9
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass488.1626612
Monoisotopic Mass488.1626612
Topological Polar Surface Area78 Ų
Heavy Atom Count34
Formal Charge0
Complexity640
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T73334-01Larotinib
HY-153110A-01Larotinib (mesylate hydrate)
MBS5814667Larotinib mesylate hydrate

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