![CAS 145317-11-9 1H-Pyrrole-2,5-dione, 3-[8-(aMinoMethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-Methyl-1H-indol-3-yl)-, Monohy molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/145317-11-9.gif)
CAS RN: 145317-11-9
1H-Pyrrole-2,5-dione, 3-[8-(aMinoMethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-Methyl-1H-indol-3-yl)-, Monohy
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.20250822 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS145317-11-9
- Purity/Analytical Methods: >99.0%
145317-11-9 / 3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
Basic Information
CAS
145317-11-9
Multi CAS
No
Molecular Formula
C26H25ClN4O2
Molecular Weight
461.000000
Exact Mass
460.166604
SMILES
CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CC(CCN5C6=CC=CC=C64)CN.Cl
InChI
InChI=1S/C26H24N4O2.ClH/c1-29-14-18(16-6-2-4-8-19(16)29)23-24(26(32)28-25(23)31)22-17-7-3-5-9-20(17)30-11-10-15(13-27)12-21(22)30;/h2-9,14-15H,10-13,27H2,1H3,(H,28,31,32);1H
InChIKey
IMBOYWXMTUUYGZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
132.93
TPSA
82.05
LogP / Solubility
WLOGP
3.64
MLOGP
3.24
XLogP3
3.64
Consensus LogP
3.51
Log S (ESOL)
-5.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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