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CAS 1216665-49-4 APY29 molecular structure lightbox
CAS RN: 1216665-49-4

APY29

Product Availability

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14 package records13 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250809 100mg In stock Inquiry
Batchno.20260613 10mg In stock Inquiry
Batchno.20250113 25mg In stock Inquiry
Batchno.20250620 50mg In stock Inquiry
Batchno.20260701 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250919 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250627 100mg Out of stock Inquiry
Batchno.20250212 10mg In stock Shanghai Inquiry
Batchno.20250314 1mg In stock Shanghai Inquiry
Batchno.20260410 250mg In stock Shenzhen Inquiry
Batchno.20260507 25mg In stock Shanghai Inquiry
Batchno.20260205 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260610 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260420 10mg / 50mg / 250mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-024305
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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: 0.25g
  • 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 1216665-49-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1216665-49-4 / 2-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

Standard CAS: 1216665-49-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1216665-49-4
Multi CAS
No
Molecular Formula
C17H16N8
Molecular Weight
332.400000
Exact Mass
332.149793
SMILES
C1CC1C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CN5
InChI
InChI=1S/C17H16N8/c1-2-10(1)13-8-16(25-24-13)22-15-5-6-18-17(23-15)21-11-3-4-12-14(7-11)20-9-19-12/h3-10H,1-2H2,(H,19,20)(H3,18,21,22,23,24,25)
InChIKey
WJNBSTLIALIIEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
20
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
4
Molar refractivity
95.25
TPSA
107.2

LogP / Solubility

WLOGP
3.44
MLOGP
3.04
XLogP3
2.7
Consensus LogP
3.06
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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