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CAS 13741-90-7 2,4,6-triaminoquinazoline molecular structure lightbox
CAS RN: 13741-90-7

2,4,6-triaminoquinazoline

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250705 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS13741-90-7
  • Purity/Analytical Methods: >99.0%
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13741-90-7 / quinazoline-2,4,6-triamine

Standard CAS: 13741-90-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13741-90-7
Multi CAS
No
Molecular Formula
C8H9N5
Molecular Weight
175.190000
Exact Mass
175.085795
SMILES
C1=CC2=C(C=C1N)C(=NC(=N2)N)N
InChI
InChI=1S/C8H9N5/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,9H2,(H4,10,11,12,13)
InChIKey
LJBWEZVYRBKOCI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
5
H-bond donors
3
Molar refractivity
52.78
TPSA
103.84

LogP / Solubility

WLOGP
0.38
MLOGP
0.33
XLogP3
0.3
Consensus LogP
0.34
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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