CRT0105950

CAT: 0607-BA4227-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4227-25Size:25 mg

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

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CAS Number

1661845-86-8

Form

A solid

Molecular Formula

C21H16ClN3OS

Molecular Weight

393.89

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

4-((5-(3-(2-Chloro-4-methylphenyl)pyridin-4-yl)thiazol-2-yl)amino)phenol

CAS Number	1661845-86-8
PubChem CID	117918970
IUPAC Name	4-[[5-[3-(2-chloro-4-methylphenyl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]phenol
Molecular Formula	C21H16ClN3OS
Molecular Weight	393.9
XLogP	5.7
Topological Polar Surface Area	86.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	476

SMILES

CC1=CC(=C(C=C1)C2=C(C=CN=C2)C3=CN=C(S3)NC4=CC=C(C=C4)O)Cl

InChI

InChI=1S/C21H16ClN3OS/c1-13-2-7-16(19(22)10-13)18-11-23-9-8-17(18)20-12-24-21(27-20)25-14-3-5-15(26)6-4-14/h2-12,26H,1H3,(H,24,25)

InChIKey

QYDBOFPHPMYWDO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1661845-86-8

CID: 117918970

Formula: C21H16ClN3OS

MW: 393.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	393.9
XLogP3	5.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	393.0702610
Monoisotopic Mass	393.0702610
Topological Polar Surface Area	86.3 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	476
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

Catalog	Name
HY-120025-01	CRT0105950