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CAS 187281-19-2 [1,1′-Biphenyl]-3,4′,5-tricarboxaldehyde molecular structure lightbox
CAS RN: 187281-19-2

[1,1′-Biphenyl]-3,4′,5-tricarboxaldehyde

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260624 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260501 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251007 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260403 5g Out of stock Inquiry
  • Product code: starshine_CAS187281-19-2
  • Purity/Analytical Methods: >99.0%
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187281-19-2 / 5-(4-formylphenyl)benzene-1,3-dicarbaldehyde

Standard CAS: 187281-19-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
187281-19-2
Multi CAS
No
Molecular Formula
C15H10O3
Molecular Weight
238.240000
Exact Mass
238.062994
SMILES
C1=CC(=CC=C1C=O)C2=CC(=CC(=C2)C=O)C=O
InChI
InChI=1S/C15H10O3/c16-8-11-1-3-14(4-2-11)15-6-12(9-17)5-13(7-15)10-18/h1-10H
InChIKey
GWMVJHHSKAJGSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
68.04
TPSA
51.21

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
1.9
Consensus LogP
2.38
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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