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CAS 31239-06-2 N-(diphenylphosphoryl)-P,P-diphenylphosphinic amide molecular structure lightbox
CAS RN: 31239-06-2

N-(diphenylphosphoryl)-P,P-diphenylphosphinic amide

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260116 100mg In stock Shanghai Inquiry
Batchno.20250314 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250209 1g In stock Shanghai Inquiry
Batchno.20260620 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS31239-06-2
  • Purity/Analytical Methods: >99.0%
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31239-06-2 / [(diphenylphosphorylamino)-phenylphosphoryl]benzene

Standard CAS: 31239-06-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31239-06-2
Multi CAS
Yes
Molecular Formula
C24H21NO2P2
Molecular Weight
417.400000
Exact Mass
417.104753
InChI
InChI=1S/C24H21NO2P2/c26-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)25-29(27,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,26H
InChIKey
AGBQGWACICKWST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
122.65
TPSA
46.17

LogP / Solubility

WLOGP
4.43
MLOGP
3.93
XLogP3
4.7
Consensus LogP
4.35
Log S (ESOL)
-5.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.77
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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