CAS RN: 17012-49-6
5,7-Dibromo-8-methoxyquinoline
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260204 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS17012-49-6
- Purity/Analytical Methods: >99.0%
17012-49-6 / 5,7-dibromo-8-methoxyquinoline
Basic Information
CAS
17012-49-6
Multi CAS
No
Molecular Formula
C10H7Br2NO
Molecular Weight
316.980000
Exact Mass
316.887390
SMILES
COC1=C(C=C(C2=C1N=CC=C2)Br)Br
InChI
InChI=1S/C10H7Br2NO/c1-14-10-8(12)5-7(11)6-3-2-4-13-9(6)10/h2-5H,1H3
InChIKey
IJANXCJVULGZRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
63.7
TPSA
22.12
LogP / Solubility
WLOGP
3.77
MLOGP
3.33
XLogP3
3.5
Consensus LogP
3.53
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
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
-
-
-
5-BROMO-4-CHLORO-3-INDOXYL-BETA-D-FUCOPYRANOSIDE
- CAS RN: 17016-46-5
- Product Code: starshine_CAS17016-46-5
- Purity/Analytical method: >99.0%
-
-
-
L-VALINOL HYDROCHLORIDE
- CAS RN: 17016-89-6
- Product Code: starshine_CAS17016-89-6
- Purity/Analytical method: >99.0%
![CAS 17016-12-5 5-(BROMOMETHYL)BICYCLO[2.2.1]HEPT-2-ENE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3408982(1).gif)
