[email protected]
CAS 2375720-19-5 INDEX NAME NOT YET ASSIGNED molecular structure lightbox
CAS RN: 2375720-19-5

INDEX NAME NOT YET ASSIGNED

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260314 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2375720-19-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2375720-19-5 / 4-[4-(4-formylphenyl)-2,5-bis(imidazol-1-ylmethyl)phenyl]benzaldehyde

Standard CAS: 2375720-19-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2375720-19-5
Multi CAS
No
Molecular Formula
C28H22N4O2
Molecular Weight
446.500000
Exact Mass
446.174276
SMILES
C1=CC(=CC=C1C=O)C2=CC(=C(C=C2CN3C=CN=C3)C4=CC=C(C=C4)C=O)CN5C=CN=C5
InChI
InChI=1S/C28H22N4O2/c33-17-21-1-5-23(6-2-21)27-13-26(16-32-12-10-30-20-32)28(24-7-3-22(18-34)4-8-24)14-25(27)15-31-11-9-29-19-31/h1-14,17-20H,15-16H2
InChIKey
NOEONHUBQBAFJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
28
Fraction Csp3
0.07
Rotatable bonds
8
H-bond acceptors
6
Molar refractivity
130.75
TPSA
69.78

LogP / Solubility

WLOGP
5.14
MLOGP
4.55
XLogP3
3.5
Consensus LogP
4.4
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.78
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.8

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
3.5

Customers Also Viewed

Get In Touch

Contact Us