CAS RN: 654671-77-9
Sitagliptin phosphate monohydrate
Product Availability
Choose a grade to view its available package options.
14 package records12 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260205 | 100g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260128 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250321 | 10g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260114 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20251010 | 250mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250319 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20251121 | 500g | Out of stock | Inquiry | |
| Batchno.20260103 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS654671-77-9
- Purity/Analytical Methods: >99.0%
654671-77-9 / (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
Basic Information
CAS
654671-77-9
Multi CAS
Yes
Molecular Formula
C16F6H18N5O5P
Molecular Weight
505.310000
Exact Mass
505.094975
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
33
Aromatic heavy atom count
11
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
97.32
TPSA
154.8
LogP / Solubility
WLOGP
1.09
MLOGP
0.99
XLogP3
1.09
Consensus LogP
1.06
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.03
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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