CAS RN: 1203578-65-7
7-Bromo-2-phenylquinoline
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.20251225 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 15 business days | Inquiry |
- Product code: LINB891686
1203578-65-7 / 7-bromo-2-phenylquinoline
7-Bromo-2-phenylquinoline | DTXSID00591600 | RefChem:310410
Basic Information
CAS
1203578-65-7
Multi CAS
No
Molecular Formula
C15H10BrN
Molecular Weight
284.150000
Exact Mass
282.999660
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Br)C=C2
InChI
InChI=1S/C15H10BrN/c16-13-8-6-12-7-9-14(17-15(12)10-13)11-4-2-1-3-5-11/h1-10H
InChIKey
QRUXWUPPMOLJKM-UHFFFAOYSA-N
Synonyms
7-Bromo-2-phenylquinoline
DTXSID00591600
RefChem:310410
DTXCID50542364
7-Bromo-2-phenyl-quinoline
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
74.88
TPSA
12.89
LogP / Solubility
WLOGP
4.66
MLOGP
4.11
XLogP3
4.6
Consensus LogP
4.46
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
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)
-1.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
