CAS RN: 2304372-93-6
Quinoline, 6-fluoro-1,2,3,4-tetrahydro-2-methyl-5-nitro-, (2S)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260209 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2304372-93-6
- Purity/Analytical Methods: >99.0%
2304372-93-6 / (2S)-6-fluoro-2-methyl-5-nitro-1,2,3,4-tetrahydroquinoline
Basic Information
CAS
2304372-93-6
Multi CAS
No
Molecular Formula
C10H11FN2O2
Molecular Weight
210.200000
Exact Mass
210.080456
SMILES
C[C@H]1CCC2=C(N1)C=CC(=C2[N+](=O)[O-])F
InChI
InChI=1S/C10H11FN2O2/c1-6-2-3-7-9(12-6)5-4-8(11)10(7)13(14)15/h4-6,12H,2-3H2,1H3/t6-/m0/s1
InChIKey
KGJQZPZPVIBTGI-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.46
TPSA
55.17
LogP / Solubility
WLOGP
2.48
MLOGP
2.18
XLogP3
2.7
Consensus LogP
2.45
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
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)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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