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CAS 668270-12-0 Linagliptin molecular structure lightbox
CAS RN: 668270-12-0

Linagliptin

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260124 10g In stock Shanghai Inquiry
Batchno.20250410 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250405 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260201 25g In stock Shanghai Inquiry
Batchno.20251016 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-176464
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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 668270-12-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

668270-12-0 / 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione

Standard CAS: 668270-12-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
668270-12-0
Multi CAS
Yes
Molecular Formula
C25H28N8O2
Molecular Weight
472.500000
Exact Mass
472.233522
InChI
InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
InChIKey
LTXREWYXXSTFRX-QGZVFWFLSA-N

Physical Properties

Melting Point
190-196 202 °C
Appearance
White to yellow solid; also reported as a crystalline solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
19
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
1
Molar refractivity
135.48
TPSA
116.86

LogP / Solubility

WLOGP
1.15
MLOGP
1.04
XLogP3
1.9
Consensus LogP
1.36
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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