Repirinast

CAT: 0607-BA5423-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5423-25Size:25 mg

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

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CAS Number

73080-51-0

Molecular Formula

C20H21NO5

Molecular Weight

355.38

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Repirinast

Repirinast is an organic molecular entity.

CAS Number	73080-51-0
PubChem CID	5050
IUPAC Name	3-methylbutyl 7,8-dimethyl-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylate
Molecular Formula	C20H21NO5
Molecular Weight	355.4
XLogP	3.4
Topological Polar Surface Area	81.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	690

SMILES

CC1=C(C2=C(C=C1)C3=C(C(=O)C=C(O3)C(=O)OCCC(C)C)C(=O)N2)C

InChI

InChI=1S/C20H21NO5/c1-10(2)7-8-25-20(24)15-9-14(22)16-18(26-15)13-6-5-11(3)12(4)17(13)21-19(16)23/h5-6,9-10H,7-8H2,1-4H3,(H,21,23)

InChIKey

NFQIAEMCQGTTIR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 73080-51-0

CID: 5050

Formula: C20H21NO5

MW: 355.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	355.4
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	355.14197277
Monoisotopic Mass	355.14197277
Topological Polar Surface Area	81.7 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	690
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