CAS RN: 2072108-68-8
Ethanediamide, N1-(2-methyl-1-naphthalenyl)-N2-(phenylmethyl)-
- Product code: SSC-097573
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: 0.25g, 1g, 5g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 5
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | >95% | 5 In Stock | Shanghai | Inquiry |
| 1g | >95% | 4 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 1 In Stock | Shanghai | Inquiry |
| 10g | >95% | 1 In Stock | Beijing | Inquiry |
| 25g | >95% | 1 In Stock | Shenzhen | Inquiry |
2072108-68-8 / N-benzyl-N'-(2-methylnaphthalen-1-yl)oxamide
Basic Information
CAS
2072108-68-8
Multi CAS
No
Molecular Formula
C20H18N2O2
Molecular Weight
318.400000
Exact Mass
318.136828
SMILES
CC1=C(C2=CC=CC=C2C=C1)NC(=O)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C20H18N2O2/c1-14-11-12-16-9-5-6-10-17(16)18(14)22-20(24)19(23)21-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKey
QOOOSPCWFVCKFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
95.6
TPSA
58.2
LogP / Solubility
WLOGP
3.4
MLOGP
3.01
XLogP3
3.9
Consensus LogP
3.44
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
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)
-2.25
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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