CAS RN: 1226781-44-7
Omarigliptin (MK-3102)
Product Availability
Choose a grade to view its available package options.
11 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250430 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260627 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250619 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250923 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260423 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260124 | 2mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260227 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260514 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS1226781-44-7
- Purity/Analytical Methods: >99.0%
1226781-44-7 / (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
Basic Information
CAS
1226781-44-7
Multi CAS
No
Molecular Formula
C17H20F2N4O3S
Molecular Weight
398.400000
Exact Mass
398.122418
SMILES
CS(=O)(=O)N1C=C2CN(CC2=N1)[C@@H]3C[C@@H]([C@H](OC3)C4=C(C=CC(=C4)F)F)N
InChI
InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1
InChIKey
MKMPWKUAHLTIBJ-ISTRZQFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
11
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
93.15
TPSA
90.45
LogP / Solubility
WLOGP
1.14
MLOGP
1.03
XLogP3
0.3
Consensus LogP
0.82
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Safety & Transport
Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P319, and P501
Customers Also Viewed
-
![CAS 1226781-80-1 2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
- CAS RN: 1226781-80-1
- Product Code: SSC-025792
-
tert-butyl 1-(methylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
- CAS RN: 1226781-81-2
- Product Code: SSC-025793
-
tert-butyl 2-(Methylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate
- CAS RN: 1226781-82-3
- Product Code: SSC-025794
-
Norpterosin B glucoside
- CAS RN: 1226785-88-1
- Product Code: starshine_CAS1226785-88-1
- Purity/Analytical method: >99.0%
-
4-Chloro-2-difluoromethyl-6-methyl-pyridine
- CAS RN: 1226800-12-9
- Product Code: SSC-025795
-
4-Chloro-5-methyl-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
- CAS RN: 1226804-06-3
- Product Code: SSC-025797
![CAS 1226781-80-1 2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1226781-80-1.gif)
![CAS 1226781-81-2 tert-butyl 1-(methylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1226781-81-2.gif)
![CAS 1226781-82-3 tert-butyl 2-(Methylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1226781-82-3.gif)
![CAS 1226804-06-3 4-Chloro-5-methyl-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1226804-06-3.gif)