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CAS 119584-79-1 8-Fluoro-quinazoline-2,4-diamine molecular structure lightbox
CAS RN: 119584-79-1

8-Fluoro-quinazoline-2,4-diamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250917 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS119584-79-1
  • Purity/Analytical Methods: >99.0%
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119584-79-1 / 8-fluoroquinazoline-2,4-diamine

8-fluoroquinazoline-2,4-diamine | 8-Fluoro-quinazoline-2,4-diamine | 2,4-Diamino-8-fluoroquinazoline

Standard CAS: 119584-79-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
119584-79-1
Multi CAS
No
Molecular Formula
C8H7FN4
Molecular Weight
178.170000
Exact Mass
178.065474
SMILES
C1=CC2=C(C(=C1)F)N=C(N=C2N)N
InChI
InChI=1S/C8H7FN4/c9-5-3-1-2-4-6(5)12-8(11)13-7(4)10/h1-3H,(H4,10,11,12,13)
InChIKey
OMZWXLZTWRYIJS-UHFFFAOYSA-N
Synonyms
8-fluoroquinazoline-2,4-diamine 8-Fluoro-quinazoline-2,4-diamine 2,4-Diamino-8-fluoroquinazoline MFCD02323636 2,4-Quinazolinediamine, 8-fluoro-

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.32
TPSA
77.82

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
0.9
Consensus LogP
0.88
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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