CAS RN: 1359703-75-5
Quinoline, 4-broMo-6-Methoxy-7-Methyl-
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.20260108 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1359703-75-5
- Purity/Analytical Methods: >99.0%
1359703-75-5 / 4-bromo-6-methoxy-7-methylquinoline
Basic Information
CAS
1359703-75-5
Multi CAS
No
Molecular Formula
C11H10BrNO
Molecular Weight
252.110000
Exact Mass
250.994580
SMILES
CC1=CC2=NC=CC(=C2C=C1OC)Br
InChI
InChI=1S/C11H10BrNO/c1-7-5-10-8(6-11(7)14-2)9(12)3-4-13-10/h3-6H,1-2H3
InChIKey
NMYYGKUKNAGYHE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
60.73
TPSA
22.12
LogP / Solubility
WLOGP
3.31
MLOGP
2.92
XLogP3
3.2
Consensus LogP
3.14
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.17
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)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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