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CAS 83797-69-7 6-(octylaMino)pyriMidine-2,4(1H,3H)-dione molecular structure lightbox
CAS RN: 83797-69-7

6-(octylaMino)pyriMidine-2,4(1H,3H)-dione

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260505 10mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250824 10mg In stock Shanghai Inquiry
Batchno.20250225 25mg In stock Shanghai Inquiry
Batchno.20250611 50mg In stock Shanghai Inquiry
Batchno.20251114 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS83797-69-7
  • Purity/Analytical Methods: >99.0%
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83797-69-7 / 6-(octylamino)-1H-pyrimidine-2,4-dione

Standard CAS: 83797-69-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83797-69-7
Multi CAS
Yes
Molecular Formula
C12H21N3O2
Molecular Weight
239.310000
Exact Mass
239.163377
InChI
InChI=1S/C12H21N3O2/c1-2-3-4-5-6-7-8-13-10-9-11(16)15-12(17)14-10/h9H,2-8H2,1H3,(H3,13,14,15,16,17)
InChIKey
PFSWASUQURIOOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
3
Molar refractivity
69.55
TPSA
77.75

LogP / Solubility

WLOGP
1.84
MLOGP
1.62
XLogP3
2.6
Consensus LogP
2.02
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly 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)
-2.88

Drug-likeness / Medicinal Chemistry

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

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