CAS RN: 583031-56-5
1-Butyl-4-chloro-1,8-naphthyridin-2(1H)-one
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.20250214 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS583031-56-5
- Purity/Analytical Methods: >99.0%
583031-56-5 / 1-butyl-4-chloro-1,8-naphthyridin-2-one
Basic Information
CAS
583031-56-5
Multi CAS
No
Molecular Formula
C12H13CLN2O
Molecular Weight
236.700000
Exact Mass
236.071641
InChI
InChI=1S/C12H13ClN2O/c1-2-3-7-15-11(16)8-10(13)9-5-4-6-14-12(9)15/h4-6,8H,2-3,7H2,1H3
InChIKey
IZXQDMPZMBFQTP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
65.92
TPSA
34.89
LogP / Solubility
WLOGP
2.85
MLOGP
2.51
XLogP3
2.4
Consensus LogP
2.59
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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