![CAS 176860-59-6 [1,1′-BIPHENYL]-4-ETHANIMIDAMIDE, N-HYDROXY molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/176860-59-6.gif)
CAS RN: 176860-59-6
[1,1′-BIPHENYL]-4-ETHANIMIDAMIDE, N-HYDROXY
- Product code: SSC-077380
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 |
176860-59-6 / N'-hydroxy-2-(4-phenylphenyl)ethanimidamide
Basic Information
CAS
176860-59-6
Multi CAS
No
Molecular Formula
C14H14N2O
Molecular Weight
226.270000
Exact Mass
226.110613
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C/C(=N\O)/N
InChI
InChI=1S/C14H14N2O/c15-14(16-17)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,17H,10H2,(H2,15,16)
InChIKey
FBDBZCKQDJQSGU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
68.99
TPSA
58.61
LogP / Solubility
WLOGP
2.64
MLOGP
2.33
XLogP3
2.6
Consensus LogP
2.52
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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