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CAS 1598-63-6 4(1H)-Pyrimidinone, 5-fluoro-6-hydroxy-2-methyl- (9CI) molecular structure lightbox
CAS RN: 1598-63-6

4(1H)-Pyrimidinone, 5-fluoro-6-hydroxy-2-methyl- (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260416 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-067771
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1598-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1598-63-6 / 5-fluoro-4-hydroxy-2-methyl-1H-pyrimidin-6-one

Standard CAS: 1598-63-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1598-63-6
Multi CAS
No
Molecular Formula
C5H5FN2O2
Molecular Weight
144.100000
Exact Mass
144.033506
SMILES
CC1=NC(=C(C(=O)N1)F)O
InChI
InChI=1S/C5H5FN2O2/c1-2-7-4(9)3(6)5(10)8-2/h1H3,(H2,7,8,9,10)
InChIKey
REAPDCOFEGTTLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
31.22
TPSA
65.98

LogP / Solubility

WLOGP
-0.08
MLOGP
-0.07
XLogP3
-0.6
Consensus LogP
-0.25
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
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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