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CAS 73270-46-9 N-[1-(Diphenoxyphosphinyl)-2-phenylethyl]- phenylMethyl ester molecular structure lightbox
CAS RN: 73270-46-9

N-[1-(Diphenoxyphosphinyl)-2-phenylethyl]- phenylMethyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260701 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS73270-46-9
  • Purity/Analytical Methods: >99.0%
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73270-46-9 / benzyl N-(1-diphenoxyphosphoryl-2-phenylethyl)carbamate

Standard CAS: 73270-46-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73270-46-9
Multi CAS
No
Molecular Formula
C28H26NO5P
Molecular Weight
487.500000
Exact Mass
487.154860
InChI
InChI=1S/C28H26NO5P/c30-28(32-22-24-15-7-2-8-16-24)29-27(21-23-13-5-1-6-14-23)35(31,33-25-17-9-3-10-18-25)34-26-19-11-4-12-20-26/h1-20,27H,21-22H2,(H,29,30)
InChIKey
BKNZWAJOKMJQBT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
24
Fraction Csp3
0.11
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
1
Molar refractivity
135.44
TPSA
73.86

LogP / Solubility

WLOGP
6.83
MLOGP
6.05
XLogP3
6.4
Consensus LogP
6.43
Log S (ESOL)
-7.01
Class (ESOL)
Insoluble
Log S (Ali)
-8.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.7
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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