CAS RN: 1018812-91-3
8-chloro-1,7-naphthyridin-4(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.20251018 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-002936
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: 1g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1018812-91-3 / 8-chloro-1H-1,7-naphthyridin-4-one
8-Chloro-1H-1,7-naphthyridin-4-one | 8-Chloro-1,7-naphthyridin-4(1H)-one | 8-CHLORO-1,4-DIHYDRO-1,7-NAPHTHYRIDIN-4-ONE
Basic Information
CAS
1018812-91-3
Multi CAS
Yes
Molecular Formula
C8H5ClN2O
Molecular Weight
180.590000
Exact Mass
180.009041
SMILES
C1=CNC2=C(C1=O)C=CN=C2Cl
InChI
InChI=1S/C8H5ClN2O/c9-8-7-5(1-3-11-8)6(12)2-4-10-7/h1-4H,(H,10,12)
InChIKey
YWRIBUJMHLNUFK-UHFFFAOYSA-N
Synonyms
8-Chloro-1H-1,7-naphthyridin-4-one
8-Chloro-1,7-naphthyridin-4(1H)-one
8-CHLORO-1,4-DIHYDRO-1,7-NAPHTHYRIDIN-4-ONE
8-chloro-1,7-Naphthyridin-4-ol
1,7-Naphthyridin-4(1H)-one, 8-chloro-
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.37
TPSA
45.75
LogP / Solubility
WLOGP
1.58
MLOGP
1.38
XLogP3
1.4
Consensus LogP
1.45
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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