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CAS 207516-14-1 BIS[1-(2-NITROPHENYL)ETHYL] N,N-DIISOPROPYLPHOSPHORAMIDITE molecular structure lightbox
CAS RN: 207516-14-1

BIS[1-(2-NITROPHENYL)ETHYL] N,N-DIISOPROPYLPHOSPHORAMIDITE

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260322 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS207516-14-1
  • Purity/Analytical Methods: >99.0%
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207516-14-1 / N-[bis[1-(2-nitrophenyl)ethoxy]phosphanyl]-N-propan-2-ylpropan-2-amine

Standard CAS: 207516-14-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207516-14-1
Multi CAS
No
Molecular Formula
C22H30N3O6P
Molecular Weight
463.500000
Exact Mass
463.187223
SMILES
CC(C)N(C(C)C)P(OC(C)C1=CC=CC=C1[N+](=O)[O-])OC(C)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C22H30N3O6P/c1-15(2)23(16(3)4)32(30-17(5)19-11-7-9-13-21(19)24(26)27)31-18(6)20-12-8-10-14-22(20)25(28)29/h7-18H,1-6H3
InChIKey
NHOJISHKGBWJKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
11
H-bond acceptors
7
Molar refractivity
124.22
TPSA
107.98

LogP / Solubility

WLOGP
6.7
MLOGP
5.93
XLogP3
5.3
Consensus LogP
5.98
Log S (ESOL)
-6.49
Class (ESOL)
Insoluble
Log S (Ali)
-8.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.79

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
3.5

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