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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2611225-93-3 / N'-(2-methylnaphthalen-1-yl)-N-(pyridin-2-ylmethyl)oxamide
Basic Information
CAS
2611225-93-3
Multi CAS
No
Molecular Formula
C19H17N3O2
Molecular Weight
319.400000
Exact Mass
319.132077
SMILES
CC1=C(C2=CC=CC=C2C=C1)NC(=O)C(=O)NCC3=CC=CC=N3
InChI
InChI=1S/C19H17N3O2/c1-13-9-10-14-6-2-3-8-16(14)17(13)22-19(24)18(23)21-12-15-7-4-5-11-20-15/h2-11H,12H2,1H3,(H,21,23)(H,22,24)
InChIKey
LNKILJJEPUUYDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
93.4
TPSA
71.09
LogP / Solubility
WLOGP
2.8
MLOGP
2.48
XLogP3
2.9
Consensus LogP
2.73
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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