Aloisine A

CAT: 0024-sc-202451Size: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-202451Size:1 mg

Selected

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

Quick Request Actions

CAS Number

496864-16-5

Chemical Information

RP107

4-(7-butyl-1,5-dihydropyrrolo[2,3-b]pyrazin-6-ylidene)-1-cyclohexa-2,5-dienone is a member of quinomethanes.

CAS Number	496864-16-5
PubChem CID	448912
IUPAC Name	4-(7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol
Molecular Formula	C16H17N3O
Molecular Weight	267.33
XLogP	3.5
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	304

SMILES

CCCCC1=C(NC2=NC=CN=C12)C3=CC=C(C=C3)O

InChI

InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,20H,2-4H2,1H3,(H,18,19)

InChIKey

PRIGRJPRGZCFAS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 496864-16-5

CID: 448912

Formula: C16H17N3O

MW: 267.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.33
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	267.137162174
Monoisotopic Mass	267.137162174
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	304
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
sc-202450	Aloesin