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CAS 128858-43-5 Di-p-Chlorobenzyl N,N-Diisopropylphosphoramidite molecular structure lightbox
CAS RN: 128858-43-5

Di-p-Chlorobenzyl N,N-Diisopropylphosphoramidite

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250514 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS128858-43-5
  • Purity/Analytical Methods: >99.0%
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128858-43-5 / N-[bis[(4-chlorophenyl)methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine

Standard CAS: 128858-43-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
128858-43-5
Multi CAS
No
Molecular Formula
C20H26Cl2NO2P
Molecular Weight
414.300000
Exact Mass
413.107822
SMILES
CC(C)N(C(C)C)P(OCC1=CC=C(C=C1)Cl)OCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C20H26Cl2NO2P/c1-15(2)23(16(3)4)26(24-13-17-5-9-19(21)10-6-17)25-14-18-7-11-20(22)12-8-18/h5-12,15-16H,13-14H2,1-4H3
InChIKey
OCQXCPQSBNWTOF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
9
H-bond acceptors
3
Molar refractivity
111.51
TPSA
21.7

LogP / Solubility

WLOGP
7.07
MLOGP
6.25
XLogP3
6.1
Consensus LogP
6.47
Log S (ESOL)
-6.61
Class (ESOL)
Insoluble
Log S (Ali)
-8.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.3
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)
-0.23

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
2.5

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