CAS RN: 874374-25-1
Ned 19
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251008 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250829 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251028 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260125 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250718 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250429 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS874374-25-1
- Purity/Analytical Methods: >99.0%
874374-25-1 / (1R,3S)-1-[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Basic Information
CAS
874374-25-1
Multi CAS
Yes
Molecular Formula
C30FH31N4O3
Molecular Weight
514.600000
Exact Mass
514.238019
InChI
InChI=1S/C30H31FN4O3/c1-38-27-11-10-19(16-20(27)18-34-12-14-35(15-13-34)26-9-5-3-7-23(26)31)28-29-22(17-25(33-28)30(36)37)21-6-2-4-8-24(21)32-29/h2-11,16,25,28,32-33H,12-15,17-18H2,1H3,(H,36,37)
InChIKey
FUHCEERDBRGPQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
21
Fraction Csp3
0.3
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
145.29
TPSA
80.83
LogP / Solubility
WLOGP
4.33
MLOGP
3.84
XLogP3
2
Consensus LogP
3.39
Log S (ESOL)
-5.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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