MTX-211

CAT: 0127-BUP12873-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12873-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1952236-05-3

Synonyms

MTX 211

Purity

=95%

Smiles

CS(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1

Chemical Information

N-[2-chloro-5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]pyridin-3-yl]methanesulfonamide

CAS Number	1952236-05-3
PubChem CID	121416213
IUPAC Name	N-[2-chloro-5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
Molecular Formula	C20H14Cl2FN5O2S
Molecular Weight	478.3
XLogP	4.6
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	31
Formal Charge	0
Complexity	714

SMILES

CS(=O)(=O)NC1=C(N=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)Cl

InChI

InChI=1S/C20H14Cl2FN5O2S/c1-31(29,30)28-18-7-12(9-24-19(18)22)11-2-5-17-14(6-11)20(26-10-25-17)27-13-3-4-16(23)15(21)8-13/h2-10,28H,1H3,(H,25,26,27)

InChIKey

GUYKCXXNIKKSBC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1952236-05-3

CID: 121416213

Formula: C20H14Cl2FN5O2S

MW: 478.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	478.3
XLogP3	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	477.0229294
Monoisotopic Mass	477.0229294
Topological Polar Surface Area	105 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	714
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes