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CAS 850649-62-6 Alogliptin benzoate molecular structure lightbox
CAS RN: 850649-62-6

Alogliptin benzoate

Product Availability

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9 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251231 1g In stock Inquiry
Batchno.20251019 250mg In stock Inquiry
Batchno.20260204 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250717 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260610 1g In stock Shanghai Inquiry
Batchno.20260115 1mg In stock Shanghai Inquiry
Batchno.20250721 250mg In stock Shanghai Inquiry
Batchno.20260529 25g In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250315 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-193075
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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: 5g
  • 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 850649-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

850649-62-6 / 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile;benzoic acid

Standard CAS: 850649-62-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
850649-62-6
Multi CAS
Yes
Molecular Formula
C25H27N5O4
Molecular Weight
461.500000
Exact Mass
461.206304
InChI
InChI=1S/C18H21N5O2.C7H6O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19;8-7(9)6-4-2-1-3-5-6/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3;1-5H,(H,8,9)/t15-;/m1./s1
InChIKey
KEJICOXJTRHYAK-XFULWGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
2
Molar refractivity
129.03
TPSA
134.35

LogP / Solubility

WLOGP
1.78
MLOGP
1.6
XLogP3
1.78
Consensus LogP
1.72
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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