CAS RN: 175136-18-2
4-(4-FLUOROBENZYLOXY)-3-NITROBENZALDEHYDE
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.20260505 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS175136-18-2
- Purity/Analytical Methods: >99.0%
175136-18-2 / 4-[(4-fluorophenyl)methoxy]-3-nitrobenzaldehyde
Basic Information
CAS
175136-18-2
Multi CAS
No
Molecular Formula
C14H10FNO4
Molecular Weight
275.230000
Exact Mass
275.059386
SMILES
C1=CC(=CC=C1COC2=C(C=C(C=C2)C=O)[N+](=O)[O-])F
InChI
InChI=1S/C14H10FNO4/c15-12-4-1-10(2-5-12)9-20-14-6-3-11(8-17)7-13(14)16(18)19/h1-8H,9H2
InChIKey
WMXZCHIRDDTONT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
69.22
TPSA
69.44
LogP / Solubility
WLOGP
3.13
MLOGP
2.76
XLogP3
2.8
Consensus LogP
2.9
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
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)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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