CAS RN: 2589531-82-6
1,5-Naphthyridin-2(1H)-one, 7-(bromomethyl)-3-ethyl-
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.20260504 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-122543
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2589531-82-6 / 7-(bromomethyl)-3-ethyl-1H-1,5-naphthyridin-2-one
Basic Information
CAS
2589531-82-6
Multi CAS
Yes
Molecular Formula
BC11H11ORn2
Molecular Weight
267.120000
Exact Mass
266.005480
InChI
InChI=1S/C11H11BrN2O/c1-2-8-4-9-10(14-11(8)15)3-7(5-12)6-13-9/h3-4,6H,2,5H2,1H3,(H,14,15)
InChIKey
LXECYAKMMDYOIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.37
TPSA
45.75
LogP / Solubility
WLOGP
2.38
MLOGP
2.1
XLogP3
1.7
Consensus LogP
2.06
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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)
-2.66
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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