CAS RN: 1333255-21-2
3-Quinolinecarboxylic acid, 8-bromo-2-methyl-, ethyl ester
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.20250623 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1333255-21-2
- Purity/Analytical Methods: >99.0%
1333255-21-2 / ethyl 8-bromo-2-methylquinoline-3-carboxylate
Basic Information
CAS
1333255-21-2
Multi CAS
No
Molecular Formula
C13H12BrNO2
Molecular Weight
294.140000
Exact Mass
293.005140
SMILES
CCOC(=O)C1=C(N=C2C(=C1)C=CC=C2Br)C
InChI
InChI=1S/C13H12BrNO2/c1-3-17-13(16)10-7-9-5-4-6-11(14)12(9)15-8(10)2/h4-7H,3H2,1-2H3
InChIKey
TUMQMWIVAZEEMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
70.14
TPSA
39.19
LogP / Solubility
WLOGP
3.48
MLOGP
3.08
XLogP3
3.5
Consensus LogP
3.35
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
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)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1333262-65-9 6-bromo-1-methyl-1,3-dihydrobenzo[c][1,2,5]thiadiazole 2,2-dioxide molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
6-bromo-1-methyl-1,3-dihydrobenzo[c][1,2,5]thiadiazole 2,2-dioxide
- CAS RN: 1333262-65-9
- Product Code: SSC-040013
-
2-ISOPROPOXY-5-(TRIFLUOROMETHOXY)BENZENEBORONIC ACID
- CAS RN: 1333313-17-9
- Product Code: SSC-040018
-
(3-(3-(diMethylaMino)propoxy)phenyl)boronic acid
- CAS RN: 1333314-09-2
- Product Code: starshine_CAS1333314-09-2
- Purity/Analytical method: >99.0%
-
Acridine, 2,7-dibroMo-9,10-dihydro-9,9-diMethyl-
- CAS RN: 1333316-35-0
- Product Code: SSC-040020
-
-
ethyl 4-hydroxytetrahydrofuran-2-carboxylate
- CAS RN: 1333319-61-1
- Product Code: SSC-040023
![CAS 1333262-65-9 6-bromo-1-methyl-1,3-dihydrobenzo[c][1,2,5]thiadiazole 2,2-dioxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1333262-65-9.gif)
