[email protected]
CAS 959466-51-4 2,4-Bis(benzyloxy)-5-isopropylbenzaldehyde molecular structure lightbox
CAS RN: 959466-51-4

2,4-Bis(benzyloxy)-5-isopropylbenzaldehyde

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260319 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-211673
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 959466-51-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

959466-51-4 / 2,4-bis(phenylmethoxy)-5-propan-2-ylbenzaldehyde

Standard CAS: 959466-51-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
959466-51-4
Multi CAS
No
Molecular Formula
C24H24O3
Molecular Weight
360.400000
Exact Mass
360.172545
InChI
InChI=1S/C24H24O3/c1-18(2)22-13-21(15-25)23(26-16-19-9-5-3-6-10-19)14-24(22)27-17-20-11-7-4-8-12-20/h3-15,18H,16-17H2,1-2H3
InChIKey
SPNCDKLGLPWEGP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
107.47
TPSA
35.53

LogP / Solubility

WLOGP
5.78
MLOGP
5.11
XLogP3
5.4
Consensus LogP
5.43
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.76
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us