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CAS 1473368-47-6 Alogliptin Impurity 45 molecular structure lightbox
CAS RN: 1473368-47-6

Alogliptin Impurity 45

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260503 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-058052
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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: 0.1g, 0.25g, 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 1473368-47-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1473368-47-6 / [(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfonyloxypentyl] methanesulfonate

Standard CAS: 1473368-47-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1473368-47-6
Multi CAS
No
Molecular Formula
C12H25NO8S2
Molecular Weight
375.500000
Exact Mass
375.102159
SMILES
CC(C)(C)OC(=O)N[C@H](CCCOS(=O)(=O)C)COS(=O)(=O)C
InChI
InChI=1S/C12H25NO8S2/c1-12(2,3)21-11(14)13-10(9-20-23(5,17)18)7-6-8-19-22(4,15)16/h10H,6-9H2,1-5H3,(H,13,14)/t10-/m1/s1
InChIKey
VVQGYZCBLJTGGR-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.92
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
1
Molar refractivity
83.98
TPSA
125.07

LogP / Solubility

WLOGP
0.61
MLOGP
0.56
XLogP3
0.6
Consensus LogP
0.59
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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