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CAS 54368-61-5 ETHYL 2,6-DICHLORO-5-NITROPYRIMIDINE-4-CARBOXYLATE molecular structure lightbox
CAS RN: 54368-61-5

ETHYL 2,6-DICHLORO-5-NITROPYRIMIDINE-4-CARBOXYLATE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260321 1g In stock Inquiry
Batchno.20251020 250mg In stock Inquiry
Batchno.20251214 50mg In stock Inquiry
Batchno.20250110 5g In stock Inquiry
  • Product code: SSC-162002
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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 54368-61-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

54368-61-5 / ethyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate

Standard CAS: 54368-61-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54368-61-5
Multi CAS
Yes
Molecular Formula
C7H5CL2N3O4
Molecular Weight
266.040000
Exact Mass
264.965711
InChI
InChI=1S/C7H5Cl2N3O4/c1-2-16-6(13)3-4(12(14)15)5(8)11-7(9)10-3/h2H2,1H3
InChIKey
CXMOEGSGXAUCNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
54.66
TPSA
95.22

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
2.5
Consensus LogP
2.01
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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