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CAS 1308652-66-5 9-[2-(Diethylphosphino)phenyl]-9H-carbazole molecular structure lightbox
CAS RN: 1308652-66-5

9-[2-(Diethylphosphino)phenyl]-9H-carbazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250425 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1308652-66-5
  • Purity/Analytical Methods: >99.0%
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1308652-66-5 / (2-carbazol-9-ylphenyl)-diethylphosphane

Standard CAS: 1308652-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1308652-66-5
Multi CAS
No
Molecular Formula
C22H22NP
Molecular Weight
331.400000
Exact Mass
331.148987
SMILES
CCP(CC)C1=CC=CC=C1N2C3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C22H22NP/c1-3-24(4-2)22-16-10-9-15-21(22)23-19-13-7-5-11-17(19)18-12-6-8-14-20(18)23/h5-16H,3-4H2,1-2H3
InChIKey
ZLZCILUROWCDNR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
19
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
108.42
TPSA
4.93

LogP / Solubility

WLOGP
5.93
MLOGP
5.23
XLogP3
5.3
Consensus LogP
5.49
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.22
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.53

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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