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CAS 1501954-20-6 [2′,5′-Dibutoxy-[1,1′:4′,1”-terphenyl]-4,4”-dicarbaldehyde] molecular structure lightbox
CAS RN: 1501954-20-6

[2′,5′-Dibutoxy-[1,1′:4′,1”-terphenyl]-4,4”-dicarbaldehyde]

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250221 100mg In stock Shanghai Inquiry
Batchno.20250716 1g In stock Shanghai Inquiry
Batchno.20251218 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250724 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Chongqing Inquiry
  • Product code: starshine_CAS1501954-20-6
  • Purity/Analytical Methods: >99.0%
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1501954-20-6 / 4-[2,5-dibutoxy-4-(4-formylphenyl)phenyl]benzaldehyde

Standard CAS: 1501954-20-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1501954-20-6
Multi CAS
No
Molecular Formula
C28H30O4
Molecular Weight
430.500000
Exact Mass
430.214409
SMILES
CCCCOC1=CC(=C(C=C1C2=CC=C(C=C2)C=O)OCCCC)C3=CC=C(C=C3)C=O
InChI
InChI=1S/C28H30O4/c1-3-5-15-31-27-17-26(24-13-9-22(20-30)10-14-24)28(32-16-6-4-2)18-25(27)23-11-7-21(19-29)8-12-23/h7-14,17-20H,3-6,15-16H2,1-2H3
InChIKey
JMDUPWWEKGSQEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
128.9
TPSA
52.6

LogP / Solubility

WLOGP
7
MLOGP
6.19
XLogP3
6.5
Consensus LogP
6.56
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-8.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.71
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)
-0.37

Drug-likeness / Medicinal Chemistry

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

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