CAS RN: 218464-59-6
VPC-13566
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.20251123 | 25mg / 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS218464-59-6
- Purity/Analytical Methods: >99.0%
218464-59-6 / 2-(7-methyl-1H-indol-3-yl)quinoline
Basic Information
CAS
218464-59-6
Multi CAS
No
Molecular Formula
C18H14N2
Molecular Weight
258.300000
Exact Mass
258.115698
SMILES
CC1=C2C(=CC=C1)C(=CN2)C3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C18H14N2/c1-12-5-4-7-14-15(11-19-18(12)14)17-10-9-13-6-2-3-8-16(13)20-17/h2-11,19H,1H3
InChIKey
FPKBNOVQNMJTEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
19
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
83.77
TPSA
28.68
LogP / Solubility
WLOGP
4.69
MLOGP
4.14
XLogP3
4.3
Consensus LogP
4.38
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
