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CAS 917081-58-4 Di-tert-butyl 5-methyl-2,4-dioxopyrimidine-1,3(2H,4H)-dicarboxylate molecular structure lightbox
CAS RN: 917081-58-4

Di-tert-butyl 5-methyl-2,4-dioxopyrimidine-1,3(2H,4H)-dicarboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250329 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-205106
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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 917081-58-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

917081-58-4 / ditert-butyl 5-methyl-2,4-dioxopyrimidine-1,3-dicarboxylate

Standard CAS: 917081-58-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
917081-58-4
Multi CAS
No
Molecular Formula
C15H22N2O6
Molecular Weight
326.340000
Exact Mass
326.147786
InChI
InChI=1S/C15H22N2O6/c1-9-8-16(12(20)22-14(2,3)4)11(19)17(10(9)18)13(21)23-15(5,6)7/h8H,1-7H3
InChIKey
MBNPMTPOCIYNPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
82.96
TPSA
96.6

LogP / Solubility

WLOGP
1.88
MLOGP
1.67
XLogP3
2.1
Consensus LogP
1.88
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37

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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