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CAS 321432-05-7 4-[(4-FLUOROBENZYL)OXY]-3-METHOXYBENZENECARBALDEHYDE molecular structure lightbox
CAS RN: 321432-05-7

4-[(4-FLUOROBENZYL)OXY]-3-METHOXYBENZENECARBALDEHYDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250524 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS321432-05-7
  • Purity/Analytical Methods: >99.0%
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321432-05-7 / 4-[(4-fluorophenyl)methoxy]-3-methoxybenzaldehyde

Standard CAS: 321432-05-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
321432-05-7
Multi CAS
No
Molecular Formula
C15FH13O3
Molecular Weight
260.260000
Exact Mass
260.084872
InChI
InChI=1S/C15H13FO3/c1-18-15-8-12(9-17)4-7-14(15)19-10-11-2-5-13(16)6-3-11/h2-9H,10H2,1H3
InChIKey
PGCCPVWYLPJNBO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
69.11
TPSA
35.53

LogP / Solubility

WLOGP
3.23
MLOGP
2.85
XLogP3
2.9
Consensus LogP
2.99
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
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)
-2.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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