CAS RN: 199192-18-2
3-Indolizinecarboxaldehyde, 5,6,7,8-tetrahydro- (9CI)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260628 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS199192-18-2
- Purity/Analytical Methods: >99.0%
199192-18-2 / 5,6,7,8-tetrahydroindolizine-3-carbaldehyde
Basic Information
CAS
199192-18-2
Multi CAS
No
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
SMILES
C1CCN2C(=CC=C2C=O)C1
InChI
InChI=1S/C9H11NO/c11-7-9-5-4-8-3-1-2-6-10(8)9/h4-5,7H,1-3,6H2
InChIKey
GFGOSMOADVSZRH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.76
TPSA
22
LogP / Solubility
WLOGP
1.64
MLOGP
1.43
XLogP3
1.2
Consensus LogP
1.42
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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