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CAS 1029877-94-8 Trelagliptin succinate molecular structure lightbox
CAS RN: 1029877-94-8

Trelagliptin succinate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260516 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250404 10g In stock Shanghai Inquiry
Batchno.20260613 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20251228 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250410 5g In stock Shanghai Inquiry
  • Product code: SSC-004364
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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 1029877-94-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1029877-94-8 / 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile;butanedioic acid

SCHEMBL4468875 | HMS5084E19 | AKOS026750410

Standard CAS: 1029877-94-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1029877-94-8
Multi CAS
Yes
Molecular Formula
C22H26FN5O6
Molecular Weight
475.500000
Exact Mass
475.186712
SMILES
CN1C(=O)C=C(N(C1=O)CC2=C(C=CC(=C2)F)C#N)N3CCC[C@H](C3)N.C(CC(=O)O)C(=O)O
InChI
InChI=1S/C18H20FN5O2.C4H6O4/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20;5-3(6)1-2-4(7)8/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3;1-2H2,(H,5,6)(H,7,8)/t15-;/m1./s1
InChIKey
OGCNTTUPLQTBJI-XFULWGLBSA-N
Synonyms
SCHEMBL4468875 HMS5084E19 AKOS026750410 SB16718 DA-48261

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
3
Molar refractivity
120.09
TPSA
171.65

LogP / Solubility

WLOGP
0.47
MLOGP
0.45
XLogP3
0.47
Consensus LogP
0.46
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.29

Drug-likeness / Medicinal Chemistry

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

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