CAS RN: 1071063-42-7
5,6,7,8-tetrahydroquinoline-2-carbaldehyde
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251218 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1071063-42-7
- Purity/Analytical Methods: >99.0%
1071063-42-7 / 5,6,7,8-tetrahydroquinoline-2-carbaldehyde
5,6,7,8-tetrahydroquinoline-2-carbaldehyde | MFCD18802820 | SCHEMBL16320245
Basic Information
CAS
1071063-42-7
Multi CAS
No
Molecular Formula
C10H11NO
Molecular Weight
161.200000
Exact Mass
161.084064
SMILES
C1CCC2=C(C1)C=CC(=N2)C=O
InChI
InChI=1S/C10H11NO/c12-7-9-6-5-8-3-1-2-4-10(8)11-9/h5-7H,1-4H2
InChIKey
GLMFRPUXJFBDAV-UHFFFAOYSA-N
Synonyms
5,6,7,8-tetrahydroquinoline-2-carbaldehyde
MFCD18802820
SCHEMBL16320245
PS-18092
CS-0449961
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.27
TPSA
29.96
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
1.9
Consensus LogP
1.74
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-2.44
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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