CAS RN: 1424857-68-0
1-(4-Bromobutyl)-3,4-dihydro-7-hydroxy-2(1H)-quinolinone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251101 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1424857-68-0
- Purity/Analytical Methods: >99.0%
1424857-68-0 / 1-(4-bromobutyl)-7-hydroxy-3,4-dihydroquinolin-2-one
Basic Information
CAS
1424857-68-0
Multi CAS
No
Molecular Formula
C13H16BrNO2
Molecular Weight
298.180000
Exact Mass
297.036440
SMILES
C1CC(=O)N(C2=C1C=CC(=C2)O)CCCCBr
InChI
InChI=1S/C13H16BrNO2/c14-7-1-2-8-15-12-9-11(16)5-3-10(12)4-6-13(15)17/h3,5,9,16H,1-2,4,6-8H2
InChIKey
NMNFDVVSNNMNSV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.81
TPSA
40.54
LogP / Solubility
WLOGP
2.85
MLOGP
2.52
XLogP3
2.4
Consensus LogP
2.59
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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