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CAS 5068-18-8 4-(Diphenylphosphino)benzaldehyde molecular structure lightbox
CAS RN: 5068-18-8

4-(Diphenylphosphino)benzaldehyde

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251213 100mg In stock Shanghai Inquiry
Batchno.20250918 1g Out of stock Inquiry
Batchno.20260603 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250314 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS5068-18-8
  • Purity/Analytical Methods: >99.0%
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5068-18-8 / 4-diphenylphosphanylbenzaldehyde

Standard CAS: 5068-18-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5068-18-8
Multi CAS
No
Molecular Formula
C19H15OP
Molecular Weight
290.300000
Exact Mass
290.086052
InChI
InChI=1S/C19H15OP/c20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H
InChIKey
YJVCVMLWZAITLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
90.54
TPSA
17.07

LogP / Solubility

WLOGP
3.26
MLOGP
2.88
XLogP3
4.1
Consensus LogP
3.41
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
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)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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