Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
65896-28-8 / 1,8-naphthyridine-2,7-dicarbaldehyde
Basic Information
CAS
65896-28-8
Multi CAS
No
Molecular Formula
C10H6N2O2
Molecular Weight
186.170000
Exact Mass
186.042927
InChI
InChI=1S/C10H6N2O2/c13-5-8-3-1-7-2-4-9(6-14)12-10(7)11-8/h1-6H
InChIKey
URFPVPJJAPHVQC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
50.31
TPSA
59.92
LogP / Solubility
WLOGP
1.25
MLOGP
1.1
XLogP3
1
Consensus LogP
1.12
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
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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