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CAS 856595-94-3 2-ChloropyriMidine-5-carboxaMide molecular structure lightbox
CAS RN: 856595-94-3

2-ChloropyriMidine-5-carboxaMide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251226 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-194164
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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 856595-94-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

856595-94-3 / 2-chloropyrimidine-5-carboxamide

Standard CAS: 856595-94-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
856595-94-3
Multi CAS
No
Molecular Formula
C5H4CLN3O
Molecular Weight
157.560000
Exact Mass
157.004290
InChI
InChI=1S/C5H4ClN3O/c6-5-8-1-3(2-9-5)4(7)10/h1-2H,(H2,7,10)
InChIKey
CMBRIPQIRNNMEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.56
TPSA
68.87

LogP / Solubility

WLOGP
0.23
MLOGP
0.2
Consensus LogP
0.14
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very 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)
-3.52

Drug-likeness / Medicinal Chemistry

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

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