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CAS 696-83-3 2,4-DIAMINO-6-FLUOROPYRIMIDINE molecular structure lightbox
CAS RN: 696-83-3

2,4-DIAMINO-6-FLUOROPYRIMIDINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250518 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-179310
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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 696-83-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

696-83-3 / 6-fluoropyrimidine-2,4-diamine

Standard CAS: 696-83-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
696-83-3
Multi CAS
No
Molecular Formula
C4FH5N4
Molecular Weight
128.110000
Exact Mass
128.049824
InChI
InChI=1S/C4H5FN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)
InChIKey
BOVQRQCKNKKBOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
30.81
TPSA
77.82

LogP / Solubility

WLOGP
-0.22
MLOGP
-0.2
XLogP3
-0.1
Consensus LogP
-0.17
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.31
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)
-3.66

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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