CAS RN: 3672-41-1
2-PHENYL-INDOLIZINE-3-CARBALDEHYDE
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.20251111 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS3672-41-1
- Purity/Analytical Methods: >99.0%
3672-41-1 / 2-phenylindolizine-3-carbaldehyde
Basic Information
CAS
3672-41-1
Multi CAS
Yes
Molecular Formula
C15H11NO
Molecular Weight
221.250000
Exact Mass
221.084064
InChI
InChI=1S/C15H11NO/c17-11-15-14(12-6-2-1-3-7-12)10-13-8-4-5-9-16(13)15/h1-11H
InChIKey
HXCCGUNEMZFUFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
68.22
TPSA
21.48
LogP / Solubility
WLOGP
3.42
MLOGP
3.01
XLogP3
3.9
Consensus LogP
3.44
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
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)
-1.64
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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