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CAS 1150560-59-0 5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione molecular structure lightbox
CAS RN: 1150560-59-0

5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260317 1g In stock Inquiry
Batchno.20260319 5g In stock Inquiry
  • Product code: SSC-014755
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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: ＞97%
  • 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 1150560-59-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1150560-59-0 / 5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione

5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1h,3h)-pyrimidinedione | 5-(2-Fluoro-3-methoxyphenyl)-1-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-6-methyl-2,4(1H,3H)-pyrimidinedione | RefChem:529478

Standard CAS: 1150560-59-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1150560-59-0
Multi CAS
Yes
Molecular Formula
C20H15F5N2O3
Molecular Weight
426.300000
Exact Mass
426.100283
SMILES
CC1=C(C(=O)NC(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)C3=C(C(=CC=C3)OC)F
InChI
InChI=1S/C20H15F5N2O3/c1-10-16(11-5-3-8-15(30-2)17(11)22)18(28)26-19(29)27(10)9-12-13(20(23,24)25)6-4-7-14(12)21/h3-8H,9H2,1-2H3,(H,26,28,29)
InChIKey
RKWZHFVZKOVXSK-UHFFFAOYSA-N
Synonyms
5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1h,3h)-pyrimidinedione 5-(2-Fluoro-3-methoxyphenyl)-1-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-6-methyl-2,4(1H,3H)-pyrimidinedione RefChem:529478 855-578-4 5-(2-Fluoro-3-methoxyphenyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
98.51
TPSA
64.09

LogP / Solubility

WLOGP
3.87
MLOGP
3.43
XLogP3
3.8
Consensus LogP
3.7
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P264+P265, P280, P305+P351+P338, P318, P337+P317, P405, and P501

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