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CAS 1437323-27-7 5-Pyrimidinecarboxylic acid, 3-(4-fluorophenyl)-1,2,3,4-tetrahydro-1-(1-methylethyl)-2,4-dioxo-, ethyl ester molecular structure lightbox
CAS RN: 1437323-27-7

5-Pyrimidinecarboxylic acid, 3-(4-fluorophenyl)-1,2,3,4-tetrahydro-1-(1-methylethyl)-2,4-dioxo-, ethyl ester

  • Product code: SSC-055091
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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: 1g
  • 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 1437323-27-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1437323-27-7 / ethyl 3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxylate

Standard CAS: 1437323-27-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1437323-27-7
Multi CAS
No
Molecular Formula
C16H17FN2O4
Molecular Weight
320.310000
Exact Mass
320.117235
SMILES
CCOC(=O)C1=CN(C(=O)N(C1=O)C2=CC=C(C=C2)F)C(C)C
InChI
InChI=1S/C16H17FN2O4/c1-4-23-15(21)13-9-18(10(2)3)16(22)19(14(13)20)12-7-5-11(17)6-8-12/h5-10H,4H2,1-3H3
InChIKey
IUEASRWXJILERC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
82.6
TPSA
70.3

LogP / Solubility

WLOGP
1.9
MLOGP
1.68
XLogP3
2.3
Consensus LogP
1.96
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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