CAS RN: 162100-15-4
SB 215505
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.20250301 | 1mg / 10mg / 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS162100-15-4
- Purity/Analytical Methods: >99.0%
162100-15-4 / 6-chloro-5-methyl-N-quinolin-5-yl-2,3-dihydroindole-1-carboxamide
Basic Information
CAS
162100-15-4
Multi CAS
No
Molecular Formula
C19H16ClN3O
Molecular Weight
337.800000
Exact Mass
337.098190
SMILES
CC1=CC2=C(C=C1Cl)N(CC2)C(=O)NC3=CC=CC4=C3C=CC=N4
InChI
InChI=1S/C19H16ClN3O/c1-12-10-13-7-9-23(18(13)11-15(12)20)19(24)22-17-6-2-5-16-14(17)4-3-8-21-16/h2-6,8,10-11H,7,9H2,1H3,(H,22,24)
InChIKey
HOVMHIRTZYQSKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.16
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
98
TPSA
45.23
LogP / Solubility
WLOGP
4.79
MLOGP
4.23
XLogP3
4
Consensus LogP
4.34
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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