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CAS 98537-53-2 9H-Purin-6-amine sulfate molecular structure lightbox
CAS RN: 98537-53-2

9H-Purin-6-amine sulfate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250601 5g / 25g Out of stock 15 business days Inquiry
  • Product code: LINH900228
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98537-53-2 / 4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene

Standard CAS: 98537-53-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98537-53-2
Multi CAS
Yes
Molecular Formula
C15H24
Molecular Weight
204.350000
Exact Mass
204.187801
InChI
InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h11-12H,5-9H2,1-4H3
InChIKey
RTBLDXVIGWSICW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.87
Molar refractivity
64.65
TPSA
0.0000

LogP / Solubility

WLOGP
4.56
MLOGP
4.01
XLogP3
4.3
Consensus LogP
4.29
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly 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)
-0.73

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
6

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