![CAS 1005036-73-6 (3aR,9bS)-6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1005036-73-6.gif)
CAS RN: 1005036-73-6
(3aR,9bS)-6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]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.20250817 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1005036-73-6
- Purity/Analytical Methods: >99.0%
1005036-73-6 / 6,8-difluoro-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
6,8-Difluoro-3a,4,5,9b-tetrahydro-4-(3-pyridinyl)-3H-cyclopenta[c]quinoline | 6,8-Difluoro-3a,4,5,9b-tetrahydro-4-(3-pyridinyl)-3H-cyclopenta(c)quinoline | RefChem:538776
Basic Information
CAS
1005036-73-6
Multi CAS
Yes
Molecular Formula
C17H14F2N2
Molecular Weight
284.300000
Exact Mass
284.112505
SMILES
C1C=CC2C1C(NC3=C2C=C(C=C3F)F)C4=CN=CC=C4
InChI
InChI=1S/C17H14F2N2/c18-11-7-14-12-4-1-5-13(12)16(10-3-2-6-20-9-10)21-17(14)15(19)8-11/h1-4,6-9,12-13,16,21H,5H2
InChIKey
NJZHEQOUHLZCOX-UHFFFAOYSA-N
Synonyms
6,8-Difluoro-3a,4,5,9b-tetrahydro-4-(3-pyridinyl)-3H-cyclopenta[c]quinoline
6,8-Difluoro-3a,4,5,9b-tetrahydro-4-(3-pyridinyl)-3H-cyclopenta(c)quinoline
RefChem:538776
(Rac)-Golgicide A
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.95
TPSA
24.92
LogP / Solubility
WLOGP
4.19
MLOGP
3.69
XLogP3
3.5
Consensus LogP
3.79
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317
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