BRD5648

CAT: 0127-BUP14260-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP14260-03Size:10 mg

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

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CAS Number

2056261-42-6

Synonyms

(R) -BRD0705

Purity

=98%

Smiles

CC[C@]1(C2=CNNC2=NC2=C1C(=O)CC(C)(C)C2)c1ccccc1

Chemical Information

(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one

CAS Number	2056261-42-6
PubChem CID	136980414
IUPAC Name	(4R)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
Molecular Formula	C20H23N3O
Molecular Weight	321.4
XLogP	4.2
Topological Polar Surface Area	57.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	561

SMILES

CC[C@]1(C2=C(NC3=C1C(=O)CC(C3)(C)C)NN=C2)C4=CC=CC=C4

InChI

InChI=1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12H,4,10-11H2,1-3H3,(H2,21,22,23)/t20-/m1/s1

InChIKey

NCKLQXXBRWCYMA-HXUWFJFHSA-N

Chemical Structure

2D Structure

CAS: 2056261-42-6

CID: 136980414

Formula: C20H23N3O

MW: 321.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	321.4
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	321.184112366
Monoisotopic Mass	321.184112366
Topological Polar Surface Area	57.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	561
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
BUP00613-01	BRD6688
BUP03916-01	BRD56491

Catalog	Name
BA8699-1	BRD5648