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CAS 90794-84-6 Diethyl 2-Chloro-4,5-pyriMidinedicarboxylate molecular structure lightbox
CAS RN: 90794-84-6

Diethyl 2-Chloro-4,5-pyriMidinedicarboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250323 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-203424
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 90794-84-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry

90794-84-6 / diethyl 2-chloropyrimidine-4,5-dicarboxylate

Standard CAS: 90794-84-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90794-84-6
Multi CAS
No
Molecular Formula
C10H11CLN2O4
Molecular Weight
258.660000
Exact Mass
258.040735
InChI
InChI=1S/C10H11ClN2O4/c1-3-16-8(14)6-5-12-10(11)13-7(6)9(15)17-4-2/h5H,3-4H2,1-2H3
InChIKey
VHQAZEHEYSOONS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
58.96
TPSA
78.38

LogP / Solubility

WLOGP
1.48
MLOGP
1.31
XLogP3
1.9
Consensus LogP
1.56
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly 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)
-3.24

Drug-likeness / Medicinal Chemistry

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

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