CAS RN: 63707-35-7
5-nitro-2-phenoxybenzonitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260301 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS63707-35-7
- Purity/Analytical Methods: >99.0%
63707-35-7 / 5-nitro-2-phenoxybenzonitrile
Basic Information
CAS
63707-35-7
Multi CAS
No
Molecular Formula
C13H8N2O3
Molecular Weight
240.210000
Exact Mass
240.053492
InChI
InChI=1S/C13H8N2O3/c14-9-10-8-11(15(16)17)6-7-13(10)18-12-4-2-1-3-5-12/h1-8H
InChIKey
FRGNJGLFPJYGLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
64.33
TPSA
76.16
LogP / Solubility
WLOGP
3.26
MLOGP
2.87
XLogP3
3
Consensus LogP
3.04
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly 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)
-1.87
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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