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CAS 55779-18-5 Arprinocid molecular structure lightbox
CAS RN: 55779-18-5

Arprinocid

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250715 100mg In stock Inquiry
Batchno.20250130 1g In stock Inquiry
Batchno.20260131 200mg In stock Inquiry
Batchno.20260101 250mg In stock Inquiry
Batchno.20251114 25g In stock Inquiry
Batchno.20250307 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250131 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-163734
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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: 25g
  • 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 55779-18-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

55779-18-5 / 9-[(2-chloro-6-fluorophenyl)methyl]purin-6-amine

Standard CAS: 55779-18-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55779-18-5
Multi CAS
No
Molecular Formula
C12H9CLFN5
Molecular Weight
277.680000
Exact Mass
277.053051
InChI
InChI=1S/C12H9ClFN5/c13-8-2-1-3-9(14)7(8)4-19-6-18-10-11(15)16-5-17-12(10)19/h1-3,5-6H,4H2,(H2,15,16,17)
InChIKey
NAPNOSFRRMHNBJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.25
TPSA
69.62

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
2.4
Consensus LogP
2.21
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

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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