CAS RN: 28341-54-0
4-(4-Nitrophenoxy)Butanoic Acid
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.20260612 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS28341-54-0
- Purity/Analytical Methods: >99.0%
28341-54-0 / 4-(4-nitrophenoxy)butanoic acid
Basic Information
CAS
28341-54-0
Multi CAS
No
Molecular Formula
C10H11NO5
Molecular Weight
225.200000
Exact Mass
225.063722
InChI
InChI=1S/C10H11NO5/c12-10(13)2-1-7-16-9-5-3-8(4-6-9)11(14)15/h3-6H,1-2,7H2,(H,12,13)
InChIKey
SZZXOFHUMXKGCV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.46
TPSA
89.67
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
2.1
Consensus LogP
1.85
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
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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