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CAS 654671-78-0 Sitagliptin phosphate molecular structure lightbox
CAS RN: 654671-78-0

Sitagliptin phosphate

Product Availability

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11 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250405 100g In stock Inquiry
Batchno.20250218 1g In stock Inquiry
Batchno.20251208 25g In stock Inquiry
Batchno.20251110 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251216 100mg In stock Shanghai Inquiry
Batchno.20251107 10g Out of stock Inquiry
Batchno.20250616 1g In stock Shanghai Inquiry
Batchno.20250627 1mg In stock Shanghai Inquiry
Batchno.20250513 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250922 25mg In stock Shanghai Inquiry
Batchno.20260113 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-175126
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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 654671-78-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

654671-78-0 / (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;phosphoric acid;hydrate

Standard CAS: 654671-78-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
654671-78-0
Multi CAS
Yes
Molecular Formula
C16F6H20N5O6P
Molecular Weight
523.320000
Exact Mass
523.105539
InChI
InChI=1S/C16H15F6N5O.H3O4P.H2O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22;1-5(2,3)4;/h4,6,9H,1-3,5,7,23H2;(H3,1,2,3,4);1H2/t9-;;/m1../s1
InChIKey
GQPYTJVDPQTBQC-KLQYNRQASA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
11
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
100.93
TPSA
186.3

LogP / Solubility

WLOGP
0.26
MLOGP
0.27
XLogP3
0.26
Consensus LogP
0.26
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.76
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)
-5.73

Drug-likeness / Medicinal Chemistry

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

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