![CAS 1909333-78-3 Ethanediamide, N1-[1,1′-biphenyl]-2-yl-N2-(phenylmethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1909333-78-3.gif)
CAS RN: 1909333-78-3
Ethanediamide, N1-[1,1′-biphenyl]-2-yl-N2-(phenylmethyl)-
- Product code: SSC-089470
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 | Beijing | Inquiry |
1909333-78-3 / N-benzyl-N'-(2-phenylphenyl)oxamide
Basic Information
CAS
1909333-78-3
Multi CAS
No
Molecular Formula
C21H18N2O2
Molecular Weight
330.400000
Exact Mass
330.136828
SMILES
C1=CC=C(C=C1)CNC(=O)C(=O)NC2=CC=CC=C2C3=CC=CC=C3
InChI
InChI=1S/C21H18N2O2/c24-20(22-15-16-9-3-1-4-10-16)21(25)23-19-14-8-7-13-18(19)17-11-5-2-6-12-17/h1-14H,15H2,(H,22,24)(H,23,25)
InChIKey
FXVRROIHVMQIEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
98.8
TPSA
58.2
LogP / Solubility
WLOGP
3.61
MLOGP
3.19
XLogP3
3.2
Consensus LogP
3.33
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
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)
-2.17
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
2.5
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