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CAS 1036959-23-5 Vildagliptin IMpurity 2 (Mixture of DiastereoMers) molecular structure lightbox
CAS RN: 1036959-23-5

Vildagliptin IMpurity 2 (Mixture of DiastereoMers)

Product Availability

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8 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250310 100mg In stock Shanghai Inquiry
Batchno.20251213 10mg In stock Shanghai Inquiry
Batchno.20250522 10mg / 25mg / 50mg Out of stock 5-7 business days Inquiry
Batchno.20250621 1g In stock Shanghai Inquiry
Batchno.20260327 250mg In stock Shanghai Inquiry
Batchno.20260122 25mg In stock Shanghai Inquiry
Batchno.20250726 50mg In stock Shanghai Inquiry
Batchno.20251215 5g In stock Shanghai Inquiry
  • Product code: SSC-005280
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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 1036959-23-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1036959-23-5 / (2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile

(2S,2'S)-1,1'-(2,2'-((3-Hydroxyadamantan-1-yl)azanediyl)bis(acetyl))bis(pyrrolidine-2-carbonitrile) | (2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile | C24H33N5O3

Standard CAS: 1036959-23-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1036959-23-5
Multi CAS
Yes
Molecular Formula
C24H33N5O3
Molecular Weight
439.600000
Exact Mass
439.258340
SMILES
C1C[C@H](N(C1)C(=O)CN(CC(=O)N2CCC[C@H]2C#N)C34CC5CC(C3)CC(C5)(C4)O)C#N
InChI
InChI=1S/C24H33N5O3/c25-12-19-3-1-5-28(19)21(30)14-27(15-22(31)29-6-2-4-20(29)13-26)23-8-17-7-18(9-23)11-24(32,10-17)16-23/h17-20,32H,1-11,14-16H2/t17?,18?,19-,20-,23?,24?/m0/s1
InChIKey
UBWUDDDAHPQAQV-SLICPZRKSA-N
Synonyms
(2S,2'S)-1,1'-(2,2'-((3-Hydroxyadamantan-1-yl)azanediyl)bis(acetyl))bis(pyrrolidine-2-carbonitrile) (2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile C24H33N5O3 (2S,2'S)-1,1'-[[(3-Hydroxytricyclo[3.3.1.13,7]dec-1-yl)imino]bis(1-oxo-2,1-ethanediyl)]bis-2-pyrrolidinecarbonitrile SCHEMBL3420936

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
114.63
TPSA
111.67

LogP / Solubility

WLOGP
1.4
MLOGP
1.26
XLogP3
1.2
Consensus LogP
1.29
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
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)
-4.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10

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