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CAS 628323-64-8 1-DIPHENYLPHOSPHINO-2-(N,N-DIMETHYLAMINO)-1H-INDENE molecular structure lightbox
CAS RN: 628323-64-8

1-DIPHENYLPHOSPHINO-2-(N,N-DIMETHYLAMINO)-1H-INDENE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250519 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS628323-64-8
  • Purity/Analytical Methods: >99.0%
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628323-64-8 / 1-diphenylphosphanyl-N,N-dimethyl-1H-inden-2-amine

Standard CAS: 628323-64-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
628323-64-8
Multi CAS
No
Molecular Formula
C23H22NP
Molecular Weight
343.400000
Exact Mass
343.148987
InChI
InChI=1S/C23H22NP/c1-24(2)22-17-18-11-9-10-16-21(18)23(22)25(19-12-5-3-6-13-19)20-14-7-4-8-15-20/h3-17,23H,1-2H3
InChIKey
NEKUSEFNLYUXNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
109.92
TPSA
3.24

LogP / Solubility

WLOGP
4.78
MLOGP
4.22
XLogP3
4.9
Consensus LogP
4.63
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.42

Drug-likeness / Medicinal Chemistry

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

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