CAS RN: 1150618-20-4
4-CHLORO-2-METHYLQUINOLINE-7-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260425 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1150618-20-4
- Purity/Analytical Methods: >99.0%
1150618-20-4 / 4-chloro-2-methylquinoline-7-carboxylic acid
4-chloro-2-methylquinoline-7-carboxylic acid | MFCD12024478 | 4-Chloro-2-methylquinoline-7-carboxylicacid
Basic Information
CAS
1150618-20-4
Multi CAS
No
Molecular Formula
C11H8ClNO2
Molecular Weight
221.640000
Exact Mass
221.024356
SMILES
CC1=CC(=C2C=CC(=CC2=N1)C(=O)O)Cl
InChI
InChI=1S/C11H8ClNO2/c1-6-4-9(12)8-3-2-7(11(14)15)5-10(8)13-6/h2-5H,1H3,(H,14,15)
InChIKey
OYEQPWTUUHEXCQ-UHFFFAOYSA-N
Synonyms
4-chloro-2-methylquinoline-7-carboxylic acid
MFCD12024478
4-Chloro-2-methylquinoline-7-carboxylicacid
7-Quinolinecarboxylic acid, 4-chloro-2-methyl-
SCHEMBL20504398
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.45
TPSA
50.19
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
2.7
Consensus LogP
2.71
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly 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)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-hydroxyquinoline-7-carboxylic acid
- CAS RN: 1150618-22-6
- Product Code: starshine_CAS1150618-22-6
- Purity/Analytical method: >99.0%
-
-
1-oxo-1,2-dihydroisoquinoline-7-carbaldehyde
- CAS RN: 1150618-27-1
- Product Code: starshine_CAS1150618-27-1
- Purity/Analytical method: >99.0%
-
-
3-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
- CAS RN: 1150618-34-0
- Product Code: SSC-014798
-
5-broMo-3-(trifluoroMethyl)-1H-pyrrolo[2,3-b]pyridine
- CAS RN: 1150618-36-2
- Product Code: SSC-014799
![CAS 1150618-34-0 3-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1150618-34-0.gif)
![CAS 1150618-36-2 5-broMo-3-(trifluoroMethyl)-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1150618-36-2.gif)