[email protected]
CAS 1024915-91-0 Benzaldehyde, 4,4′,4”,4”’-[1,2,4,5-benzenetetrayltetrakis(methyleneoxy)]tetrakis- molecular structure lightbox
CAS RN: 1024915-91-0

Benzaldehyde, 4,4′,4”,4”’-[1,2,4,5-benzenetetrayltetrakis(methyleneoxy)]tetrakis-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260106 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1024915-91-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1024915-91-0 / 4-[[2,4,5-tris[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde

4,4',4'',4'''-((Benzene-1,2,4,5-tetrayltetrakis(methylene))tetrakis(oxy))tetrabenzaldehyde | 4-[[2,4,5-tris[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde | C38H30O8

Standard CAS: 1024915-91-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1024915-91-0
Multi CAS
No
Molecular Formula
C38H30O8
Molecular Weight
614.600000
Exact Mass
614.194068
SMILES
C1=CC(=CC=C1C=O)OCC2=CC(=C(C=C2COC3=CC=C(C=C3)C=O)COC4=CC=C(C=C4)C=O)COC5=CC=C(C=C5)C=O
InChI
InChI=1S/C38H30O8/c39-19-27-1-9-35(10-2-27)43-23-31-17-33(25-45-37-13-5-29(21-41)6-14-37)34(26-46-38-15-7-30(22-42)8-16-38)18-32(31)24-44-36-11-3-28(20-40)4-12-36/h1-22H,23-26H2
InChIKey
VRPFKGDAHHZEAZ-UHFFFAOYSA-N
Synonyms
4,4',4'',4'''-((Benzene-1,2,4,5-tetrayltetrakis(methylene))tetrakis(oxy))tetrabenzaldehyde 4-[[2,4,5-tris[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde C38H30O8 MFCD34596752 BS-48475

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
30
Fraction Csp3
0.11
Rotatable bonds
16
H-bond acceptors
8
Molar refractivity
171.09
TPSA
105.2

LogP / Solubility

WLOGP
7.25
MLOGP
6.43
XLogP3
5.6
Consensus LogP
6.43
Log S (ESOL)
-7.65
Class (ESOL)
Insoluble
Log S (Ali)
-9.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.59
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.32

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us