CAS RN: 101382-54-1
2-HYDROXY-8-METHYL-QUINOLINE-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.20260531 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS101382-54-1
- Purity/Analytical Methods: >99.0%
101382-54-1 / 8-methyl-2-oxo-1H-quinoline-3-carbaldehyde
2-hydroxy-8-methylquinoline-3-carbaldehyde | 8-methyl-2-oxo-1H-quinoline-3-carbaldehyde | 8-Methyl-2-oxo-1,2-dihydro-quinoline-3-carbaldehyde
Basic Information
CAS
101382-54-1
Multi CAS
Yes
Molecular Formula
C11H9NO2
Molecular Weight
187.190000
Exact Mass
187.063329
SMILES
CC1=C2C(=CC=C1)C=C(C(=O)N2)C=O
InChI
InChI=1S/C11H9NO2/c1-7-3-2-4-8-5-9(6-13)11(14)12-10(7)8/h2-6H,1H3,(H,12,14)
InChIKey
XCBIQEWBCTWEPZ-UHFFFAOYSA-N
Synonyms
2-hydroxy-8-methylquinoline-3-carbaldehyde
8-methyl-2-oxo-1H-quinoline-3-carbaldehyde
8-Methyl-2-oxo-1,2-dihydro-quinoline-3-carbaldehyde
3-Quinolinecarboxaldehyde, 1,2-dihydro-8-methyl-2-oxo-
8-methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.69
TPSA
49.93
LogP / Solubility
WLOGP
1.65
MLOGP
1.45
XLogP3
1.4
Consensus LogP
1.5
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.69
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317
Customers Also Viewed
-
2-HYDROXY-7-METHOXY-QUINOLINE-3-CARBALDEHYDE
- CAS RN: 101382-55-2
- Product Code: SSC-002210
-
5,13-Methano-5H,6aH,13H-oxireno[2,3][1]benzopyrano[4,3-d][1]benzoxocin-12(11bH)-one,6a-(2,4-dihydroxyphenyl)-2,11-dihydroxy-9-(6-hydroxy-2-benzofuranyl)-13-methyl-
- CAS RN: 101383-35-1
- Product Code: starshine_CAS101383-35-1
- Purity/Analytical method: >99.0%
-
-
Phenol, 4-[10,15,20-tris(4-chlorophenyl)-21H,23H-porphin-5-yl]-
- CAS RN: 101395-23-7
- Product Code: SSC-002237
-
-
(S)-(-)-(3-CHLORO-2-HYDROXYPROPYL)TRIMETHYLAMMONIUM CHLORIDE
- CAS RN: 101396-91-2
- Product Code: starshine_CAS101396-91-2
- Purity/Analytical method: >99.0%
![CAS 101383-35-1 5,13-Methano-5H,6aH,13H-oxireno[2,3][1]benzopyrano[4,3-d][1]benzoxocin-12(11bH)-one,6a-(2,4-dihydroxyphenyl)-2,11-dihydroxy-9-(6-hydroxy-2-benzofuranyl)-13-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/101383-35-1.gif)
![CAS 101395-23-7 Phenol, 4-[10,15,20-tris(4-chlorophenyl)-21H,23H-porphin-5-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/101395-23-7.gif)
.gif)