CAS RN: 1207747-91-8
7-bromo-3-(difluoromethyl)quinoline
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.20250901 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1207747-91-8
- Purity/Analytical Methods: >99.0%
1207747-91-8 / 7-bromo-3-(difluoromethyl)quinoline
7-Bromo-3-(difluoromethyl)quinoline | MFCD26728199 | SCHEMBL1002281
Basic Information
CAS
1207747-91-8
Multi CAS
No
Molecular Formula
C10H6BrF2N
Molecular Weight
258.060000
Exact Mass
256.965170
SMILES
C1=CC(=CC2=NC=C(C=C21)C(F)F)Br
InChI
InChI=1S/C10H6BrF2N/c11-8-2-1-6-3-7(10(12)13)5-14-9(6)4-8/h1-5,10H
InChIKey
XFCHZDIUMNTBBP-UHFFFAOYSA-N
Synonyms
7-Bromo-3-(difluoromethyl)quinoline
MFCD26728199
SCHEMBL1002281
SCHEMBL30368774
XFCHZDIUMNTBBP-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
1
Molar refractivity
54.4
TPSA
12.89
LogP / Solubility
WLOGP
3.93
MLOGP
3.47
XLogP3
3.5
Consensus LogP
3.63
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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