CAS RN: 874755-26-7
GPR40/FFAR1 modulator 1
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251220 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS874755-26-7
- Purity/Analytical Methods: >99.0%
874755-26-7 / 7-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one
Basic Information
CAS
874755-26-7
Multi CAS
Yes
Molecular Formula
C21H19N5O3
Molecular Weight
389.400000
Exact Mass
389.148789
InChI
InChI=1S/C21H19N5O3/c1-12-5-3-4-6-16(12)23-21-25-18(24-20(22)26-21)11-28-14-7-8-15-13(2)9-19(27)29-17(15)10-14/h3-10H,11H2,1-2H3,(H3,22,23,24,25,26)
InChIKey
WCRLDDWRDAIHGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
22
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
2
Molar refractivity
110.25
TPSA
116.16
LogP / Solubility
WLOGP
3.5
MLOGP
3.1
XLogP3
3.3
Consensus LogP
3.3
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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