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CAS 13345-08-9 6-n-propyluracil molecular structure lightbox
CAS RN: 13345-08-9

6-n-propyluracil

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260110 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS13345-08-9
  • Purity/Analytical Methods: >99.0%
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13345-08-9 / 6-propyl-1H-pyrimidine-2,4-dione

Standard CAS: 13345-08-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13345-08-9
Multi CAS
No
Molecular Formula
C7H10N2O2
Molecular Weight
154.170000
Exact Mass
154.074228
SMILES
CCCC1=CC(=O)NC(=O)N1
InChI
InChI=1S/C7H10N2O2/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)
InChIKey
IMUTYIOWQFQGIC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.68
TPSA
65.72

LogP / Solubility

WLOGP
0.02
MLOGP
0.01
Consensus LogP
0.01
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very 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)
-3.65

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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