CAS RN: 959238-64-3
1H-Indole-3-carboxylic acid, 7-cyano-
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.20260309 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS959238-64-3
- Purity/Analytical Methods: >99.0%
959238-64-3 / 7-cyano-1H-indole-3-carboxylic acid
Basic Information
CAS
959238-64-3
Multi CAS
No
Molecular Formula
C10H6N2O2
Molecular Weight
186.170000
Exact Mass
186.042927
InChI
InChI=1S/C10H6N2O2/c11-4-6-2-1-3-7-8(10(13)14)5-12-9(6)7/h1-3,5,12H,(H,13,14)
InChIKey
ZADAEINCNCNJPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.97
TPSA
76.88
LogP / Solubility
WLOGP
1.74
MLOGP
1.53
XLogP3
1.3
Consensus LogP
1.52
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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