CAS RN: 123497-84-7
DeMethylMurrayanine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260409 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS123497-84-7
- Purity/Analytical Methods: >99.0%
123497-84-7 / 1-hydroxy-9H-carbazole-3-carbaldehyde
Basic Information
CAS
123497-84-7
Multi CAS
No
Molecular Formula
C13H9NO2
Molecular Weight
211.220000
Exact Mass
211.063329
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=CC(=C3)C=O)O
InChI
InChI=1S/C13H9NO2/c15-7-8-5-10-9-3-1-2-4-11(9)14-13(10)12(16)6-8/h1-7,14,16H
InChIKey
OYSFFQUIYNEZKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
13
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.86
TPSA
53.09
LogP / Solubility
WLOGP
2.84
MLOGP
2.5
XLogP3
2.5
Consensus LogP
2.61
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99
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
1.5
Customers Also Viewed
-
2-Pyridinecarboxaldehyde, 6-methoxy-5-methyl- (9CI)
- CAS RN: 123506-65-0
- Product Code: SSC-027231
-
-
3-Pyridinecarboxaldehyde, 6-methoxy-5-methyl- (9CI)
- CAS RN: 123506-67-2
- Product Code: SSC-027233
-
2-Benzothiazolecarboxaldehyde,6-methoxy-(9CI)
- CAS RN: 123511-58-0
- Product Code: SSC-027235
-
-
6-CHLORO-IMIDAZO[1,2-A]PYRIDINE-3-CARBONITRILE
- CAS RN: 123531-24-8
- Product Code: starshine_CAS123531-24-8
- Purity/Analytical method: >99.0%
![CAS 123531-24-8 6-CHLORO-IMIDAZO[1,2-A]PYRIDINE-3-CARBONITRILE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/123531-24-8.gif)