Corrector C4

CAT: 0127-BUP03602-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03602-05Size:100 mg

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

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CAS Number

421580-53-2

Synonyms

Corr 4a, Corrector C-4, Corr4a, Corrector C 4, Corr-4a

Purity

=98%

Smiles

CC1=C(C=2N=C(NC3=C(OC)C=CC(Cl)=C3)SC2)SC(NC(=O)C4=CC=CC=C4)=N1

Chemical Information

ST075396

CAS Number	421580-53-2
PubChem CID	1144671
IUPAC Name	N-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
Molecular Formula	C21H17ClN4O2S2
Molecular Weight	457.0
XLogP	5.7
Topological Polar Surface Area	133
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	583

SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NC4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C21H17ClN4O2S2/c1-12-18(30-21(23-12)26-19(27)13-6-4-3-5-7-13)16-11-29-20(25-16)24-15-10-14(22)8-9-17(15)28-2/h3-11H,1-2H3,(H,24,25)(H,23,26,27)

InChIKey

RDOBOPJBMQURAT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 421580-53-2

CID: 1144671

Formula: C21H17ClN4O2S2

MW: 457.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	457.0
XLogP3	5.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	456.0481458
Monoisotopic Mass	456.0481458
Topological Polar Surface Area	133 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	583
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

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Corrector C4

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