Products for Research Use Only
RegisterLogin

Miclxin

CAT: 0127-BUP12412-06Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP12412-06Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2494198-61-5
Synonyms
DS37262926
Purity
=98%
Smiles
N(CC1=CC(OC)=CC=C1)C=2C3=C(N=C(N2)N4CC(CC4)C=5C=CC=NC5)C=C(OC)C=C3

Chemical Information

Miclxin
CAS Number2494198-61-5
PubChem CID155891739
IUPAC Name7-methoxy-N-[(3-methoxyphenyl)methyl]-2-(3-pyridin-3-ylpyrrolidin-1-yl)quinazolin-4-amine
Molecular FormulaC26H27N5O2
Molecular Weight441.5
XLogP4.6
Topological Polar Surface Area72.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity609
SMILES
COC1=CC2=C(C=C1)C(=NC(=N2)N3CCC(C3)C4=CN=CC=C4)NCC5=CC(=CC=C5)OC
InChI
InChI=1S/C26H27N5O2/c1-32-21-7-3-5-18(13-21)15-28-25-23-9-8-22(33-2)14-24(23)29-26(30-25)31-12-10-20(17-31)19-6-4-11-27-16-19/h3-9,11,13-14,16,20H,10,12,15,17H2,1-2H3,(H,28,29,30)
InChIKey
OXSWPFXQCLRTCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Miclxin
CAS: 2494198-61-5
CID: 155891739
Formula: C26H27N5O2
MW: 441.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.5
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass441.21647512
Monoisotopic Mass441.21647512
Topological Polar Surface Area72.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA9144-50Miclxin

Popular Products