CAS RN: 187110-72-1
Clauszoline M
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.20250515 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS187110-72-1
- Purity/Analytical Methods: >99.0%
187110-72-1 / 2,8-dihydroxy-9H-carbazole-3-carbaldehyde
Basic Information
CAS
187110-72-1
Multi CAS
No
Molecular Formula
C13H9NO3
Molecular Weight
227.210000
Exact Mass
227.058243
SMILES
C1=CC2=C(C(=C1)O)NC3=C2C=C(C(=C3)O)C=O
InChI
InChI=1S/C13H9NO3/c15-6-7-4-9-8-2-1-3-11(16)13(8)14-10(9)5-12(7)17/h1-6,14,16-17H
InChIKey
IGPNSSMZXGKMGU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
13
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
64.52
TPSA
73.32
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
2.7
Consensus LogP
2.49
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.3
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
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