![CAS 16765-79-0 1-phenyl-9H-pyrido[3,4-b]indole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16765-79-0.gif)
CAS RN: 16765-79-0
1-phenyl-9H-pyrido[3,4-b]indole
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.20260220 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS16765-79-0
- Purity/Analytical Methods: >99.0%
16765-79-0 / 1-phenyl-9H-pyrido[3,4-b]indole
Basic Information
CAS
16765-79-0
Multi CAS
No
Molecular Formula
C17H12N2
Molecular Weight
244.290000
Exact Mass
244.100048
SMILES
C1=CC=C(C=C1)C2=NC=CC3=C2NC4=CC=CC=C34
InChI
InChI=1S/C17H12N2/c1-2-6-12(7-3-1)16-17-14(10-11-18-16)13-8-4-5-9-15(13)19-17/h1-11,19H
InChIKey
WOHXZRIXRLZSBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
79.04
TPSA
28.68
LogP / Solubility
WLOGP
4.38
MLOGP
3.86
XLogP3
4
Consensus LogP
4.08
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
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)
-1.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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