CAS RN: 1071017-49-6
1-CHLORO-3-(PYRIDIN-4-YL)-2,6-NAPHTHYRIDINE
- Product code: SSC-008557
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: ＞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 |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1071017-49-6 / 1-chloro-3-pyridin-4-yl-2,6-naphthyridine
1-Chloro-3-(pyridin-4-yl)-2,6-naphthyridine | MFCD18260360 | 1-chloro-3-(4-pyridyl)-2,6-naphthyridine
Basic Information
CAS
1071017-49-6
Multi CAS
No
Molecular Formula
C13H8ClN3
Molecular Weight
241.670000
Exact Mass
241.040675
SMILES
C1=CN=CC=C1C2=NC(=C3C=CN=CC3=C2)Cl
InChI
InChI=1S/C13H8ClN3/c14-13-11-3-6-16-8-10(11)7-12(17-13)9-1-4-15-5-2-9/h1-8H
InChIKey
JALZVPARZAJMOE-UHFFFAOYSA-N
Synonyms
1-Chloro-3-(pyridin-4-yl)-2,6-naphthyridine
MFCD18260360
1-chloro-3-(4-pyridyl)-2,6-naphthyridine
1-Chloro-3-pyridin-4-yl-[2,6]naphthyridine
SCHEMBL3325621
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
67.78
TPSA
38.67
LogP / Solubility
WLOGP
3.35
MLOGP
2.95
XLogP3
2.6
Consensus LogP
2.97
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly 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)
-1.82
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
1.5
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