CAS RN: 2281918-10-1
N1,N2-bis(1-naphthalenylmethyl)ethanediamide
- Product code: SSC-111074
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 |
2281918-10-1 / N,N'-bis(naphthalen-1-ylmethyl)oxamide
Basic Information
CAS
2281918-10-1
Multi CAS
No
Molecular Formula
C24H20N2O2
Molecular Weight
368.400000
Exact Mass
368.152478
SMILES
C1=CC=C2C(=C1)C=CC=C2CNC(=O)C(=O)NCC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H20N2O2/c27-23(25-15-19-11-5-9-17-7-1-3-13-21(17)19)24(28)26-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-14H,15-16H2,(H,25,27)(H,26,28)
InChIKey
UJFILYKONHUVCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
20
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
111.59
TPSA
58.2
LogP / Solubility
WLOGP
3.93
MLOGP
3.47
XLogP3
4.7
Consensus LogP
4.03
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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