![CAS 74030-44-7 1-Nitro-4-[4-(trifluoromethoxy)phenoxy]benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22691734.gif)
CAS RN: 74030-44-7
1-Nitro-4-[4-(trifluoromethoxy)phenoxy]benzene
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.20250822 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS74030-44-7
- Purity/Analytical Methods: >99.0%
74030-44-7 / 1-nitro-4-[4-(trifluoromethoxy)phenoxy]benzene
Basic Information
CAS
74030-44-7
Multi CAS
No
Molecular Formula
C13F3H8NO4
Molecular Weight
299.200000
Exact Mass
299.040542
InChI
InChI=1S/C13H8F3NO4/c14-13(15,16)21-12-7-5-11(6-8-12)20-10-3-1-9(2-4-10)17(18)19/h1-8H
InChIKey
HACLFAIEXLKPGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
66.3
TPSA
61.6
LogP / Solubility
WLOGP
4.29
MLOGP
3.78
XLogP3
5
Consensus LogP
4.36
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5
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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