CAS RN: 803712-70-1
5-(1H-indol-2-yl)-3-Methoxy-1H-pyrrole-2-carbaldehyde, 3-Methoxy-5-indol-2-yl-1H-pyrrole-2-carbaldehyde, 5-indolyl-3-Methoxypyrrole-2-carboxaldehyde
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.20250706 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS803712-70-1
- Purity/Analytical Methods: >99.0%
803712-70-1 / 5-(1H-indol-2-yl)-3-methoxy-1H-pyrrole-2-carbaldehyde
Basic Information
CAS
803712-70-1
Multi CAS
Yes
Molecular Formula
C14H12N2O2
Molecular Weight
240.260000
Exact Mass
240.089878
InChI
InChI=1S/C14H12N2O2/c1-18-14-7-12(16-13(14)8-17)11-6-9-4-2-3-5-10(9)15-11/h2-8,15-16H,1H3
InChIKey
LBTFRKGKBJBBFY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
14
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.02
TPSA
57.88
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
2.3
Consensus LogP
2.64
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly 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)
-2.07
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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