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CAS 850446-24-1 2,5-didecyloxy-1,4-bis(4-formylphenyl)benzene molecular structure lightbox
CAS RN: 850446-24-1

2,5-didecyloxy-1,4-bis(4-formylphenyl)benzene

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250602 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250522 100mg / 250mg / 1g Confirm by inquiry Shandong, Shanghai Inquiry
Batchno.20260206 1g In stock Shanghai Inquiry
Batchno.20250919 250mg In stock Shanghai, Shenzhen Inquiry
  • Product code: starshine_CAS850446-24-1
  • Purity/Analytical Methods: >99.0%
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850446-24-1 / 4-[2,5-didecoxy-4-(4-formylphenyl)phenyl]benzaldehyde

Standard CAS: 850446-24-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850446-24-1
Multi CAS
No
Molecular Formula
C40H54O4
Molecular Weight
598.900000
Exact Mass
598.402210
InChI
InChI=1S/C40H54O4/c1-3-5-7-9-11-13-15-17-27-43-39-29-38(36-25-21-34(32-42)22-26-36)40(44-28-18-16-14-12-10-8-6-4-2)30-37(39)35-23-19-33(31-41)20-24-35/h19-26,29-32H,3-18,27-28H2,1-2H3
InChIKey
QBIINBXJNLKGDH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
18
Fraction Csp3
0.5
Rotatable bonds
24
H-bond acceptors
4
Molar refractivity
184.3
TPSA
52.6

LogP / Solubility

WLOGP
11.68
MLOGP
10.33
XLogP3
13
Consensus LogP
11.67
Log S (ESOL)
-9.63
Class (ESOL)
Insoluble
Log S (Ali)
-12.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.92

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
4

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