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Yhhu-3792

CAT: 0607-BA8540-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8540-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2097826-24-7
Form
A solid
Molecular Formula
C24H24N4O2
Molecular Weight
400.47
Shipping Conditions
Blue ice
Storage Conditions
4°C, desiccated and protect from light.

Chemical Information

5-(3-Methoxyphenoxy)-N2-[4-(1-methylethyl)phenyl]-2,4-quinazolinediamine
CAS Number2097826-24-7
PubChem CID145722415
IUPAC Name5-(3-methoxyphenoxy)-2-N-(4-propan-2-ylphenyl)quinazoline-2,4-diamine
Molecular FormulaC24H24N4O2
Molecular Weight400.5
XLogP5.7
Topological Polar Surface Area82.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity525
SMILES
CC(C)C1=CC=C(C=C1)NC2=NC3=C(C(=CC=C3)OC4=CC=CC(=C4)OC)C(=N2)N
InChI
InChI=1S/C24H24N4O2/c1-15(2)16-10-12-17(13-11-16)26-24-27-20-8-5-9-21(22(20)23(25)28-24)30-19-7-4-6-18(14-19)29-3/h4-15H,1-3H3,(H3,25,26,27,28)
InChIKey
PDGVGAAXMRKVPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(3-Methoxyphenoxy)-N2-[4-(1-methylethyl)phenyl]-2,4-quinazolinediamine
CAS: 2097826-24-7
CID: 145722415
Formula: C24H24N4O2
MW: 400.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.5
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass400.18992602
Monoisotopic Mass400.18992602
Topological Polar Surface Area82.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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