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CAS 1263216-75-6 1-(4-Fluoro-benzyl)-dihydro-pyrimidine-2,4-dione molecular structure lightbox
CAS RN: 1263216-75-6

1-(4-Fluoro-benzyl)-dihydro-pyrimidine-2,4-dione

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250126 100mg In stock Tianjin, Wuhan Inquiry
Batchno.20260321 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250511 1g In stock Tianjin Inquiry
Batchno.20250613 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: starshine_CAS1263216-75-6
  • Purity/Analytical Methods: >99.0%
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1263216-75-6 / 1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4-dione

Standard CAS: 1263216-75-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1263216-75-6
Multi CAS
No
Molecular Formula
C11H11FN2O2
Molecular Weight
222.220000
Exact Mass
222.080456
SMILES
C1CN(C(=O)NC1=O)CC2=CC=C(C=C2)F
InChI
InChI=1S/C11H11FN2O2/c12-9-3-1-8(2-4-9)7-14-6-5-10(15)13-11(14)16/h1-4H,5-7H2,(H,13,15,16)
InChIKey
SCWYIPKGJFKTTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.97
TPSA
49.41

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
0.6
Consensus LogP
1
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately 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)
-3.18

Drug-likeness / Medicinal Chemistry

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

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