![CAS 1625673-80-4 9H-Pyrido[2,3-b]indole, 6-bromo-9-phenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1625673-80-4.gif)
CAS RN: 1625673-80-4
9H-Pyrido[2,3-b]indole, 6-bromo-9-phenyl-
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.20260311 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1625673-80-4
- Purity/Analytical Methods: >99.0%
1625673-80-4 / 6-bromo-9-phenylpyrido[2,3-b]indole
Basic Information
CAS
1625673-80-4
Multi CAS
No
Molecular Formula
C17H11BrN2
Molecular Weight
323.200000
Exact Mass
322.010560
SMILES
C1=CC=C(C=C1)N2C3=C(C=C(C=C3)Br)C4=C2N=CC=C4
InChI
InChI=1S/C17H11BrN2/c18-12-8-9-16-15(11-12)14-7-4-10-19-17(14)20(16)13-5-2-1-3-6-13/h1-11H
InChIKey
XJHPPLCHNJQVKC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
86.28
TPSA
17.82
LogP / Solubility
WLOGP
4.94
MLOGP
4.36
XLogP3
5
Consensus LogP
4.77
Log S (ESOL)
-5.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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