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CAS 1160556-61-5 2′-(dicyclohexylphosphino)-6-methoxy-N,N-dimethylbiphenyl-2-amine molecular structure lightbox
CAS RN: 1160556-61-5

2′-(dicyclohexylphosphino)-6-methoxy-N,N-dimethylbiphenyl-2-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250826 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1160556-61-5
  • Purity/Analytical Methods: >99.0%
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1160556-61-5 / 2-(2-dicyclohexylphosphanylphenyl)-3-methoxy-N,N-dimethylaniline

2'-(dicyclohexylphosphino)-6-methoxy-N,N-dimethylbiphenyl-2-amine | C27H38NOP | CS-0203200

Standard CAS: 1160556-61-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1160556-61-5
Multi CAS
No
Molecular Formula
C27H38NOP
Molecular Weight
423.600000
Exact Mass
423.269102
SMILES
CN(C)C1=C(C(=CC=C1)OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4
InChI
InChI=1S/C27H38NOP/c1-28(2)24-18-12-19-25(29-3)27(24)23-17-10-11-20-26(23)30(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h10-12,17-22H,4-9,13-16H2,1-3H3
InChIKey
YRSNPCXJKKAYIJ-UHFFFAOYSA-N
Synonyms
2'-(dicyclohexylphosphino)-6-methoxy-N,N-dimethylbiphenyl-2-amine C27H38NOP CS-0203200 2-(2-dicyclohexylphosphanylphenyl)-3-methoxy-N,N-dimethyl-aniline 2-(2-dicyclohexylphosphanylphenyl)-3-methoxy-N,N-dimethylaniline

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
133.06
TPSA
12.47

LogP / Solubility

WLOGP
7.2
MLOGP
6.36
XLogP3
6.8
Consensus LogP
6.79
Log S (ESOL)
-6.9
Class (ESOL)
Insoluble
Log S (Ali)
-8.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.11
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)
-0.19

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

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