![CAS 1404431-48-6 7-BROMO-1A,2,3,7B-TETRAHYDRO-1H-CYCLOPROPA[C]QUINOLINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1404431-48-6.gif)
CAS RN: 1404431-48-6
7-BROMO-1A,2,3,7B-TETRAHYDRO-1H-CYCLOPROPA[C]QUINOLINE
- Product code: SSC-051070
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1404431-48-6 / 7-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
Basic Information
CAS
1404431-48-6
Multi CAS
No
Molecular Formula
C10H10BrN
Molecular Weight
224.100000
Exact Mass
222.999660
SMILES
C1C2C1C3=C(C=CC=C3Br)NC2
InChI
InChI=1S/C10H10BrN/c11-8-2-1-3-9-10(8)7-4-6(7)5-12-9/h1-3,6-7,12H,4-5H2
InChIKey
OOPYDFSMULRLQF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.48
TPSA
12.03
LogP / Solubility
WLOGP
2.98
MLOGP
2.62
XLogP3
2.8
Consensus LogP
2.8
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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