[email protected]
CAS 59067-46-8 4-[(4-CHLOROBENZYL)OXY]BENZALDEHYDE molecular structure lightbox
CAS RN: 59067-46-8

4-[(4-CHLOROBENZYL)OXY]BENZALDEHYDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260502 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS59067-46-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

59067-46-8 / 4-[(4-chlorophenyl)methoxy]benzaldehyde

Standard CAS: 59067-46-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59067-46-8
Multi CAS
Yes
Molecular Formula
C14H11CLO2
Molecular Weight
246.690000
Exact Mass
246.044757
InChI
InChI=1S/C14H11ClO2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-9H,10H2
InChIKey
LYEQERPOWVBIQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
67.61
TPSA
26.3

LogP / Solubility

WLOGP
3.73
MLOGP
3.29
XLogP3
3.5
Consensus LogP
3.51
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
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)
-1.58

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

Customers Also Viewed

Get In Touch

Contact Us