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CAS 19152-93-3 2,4-Diamino-6-phenyl-7-pteridinol molecular structure lightbox
CAS RN: 19152-93-3

2,4-Diamino-6-phenyl-7-pteridinol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250712 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19152-93-3
  • Purity/Analytical Methods: >99.0%
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19152-93-3 / 2,4-diamino-6-phenyl-8H-pteridin-7-one

Standard CAS: 19152-93-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19152-93-3
Multi CAS
No
Molecular Formula
C12H10N6O
Molecular Weight
254.250000
Exact Mass
254.091609
SMILES
C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3NC2=O)N)N
InChI
InChI=1S/C12H10N6O/c13-9-8-10(18-12(14)16-9)17-11(19)7(15-8)6-4-2-1-3-5-6/h1-5H,(H5,13,14,16,17,18,19)
InChIKey
USTXKGPQJJRCTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
3
Molar refractivity
72.21
TPSA
123.57

LogP / Solubility

WLOGP
0.54
MLOGP
0.49
XLogP3
0.3
Consensus LogP
0.44
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.88
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)
-3.88

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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