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CAS 540492-51-1 1-DI-I-PROPYLPHOSPHINO-2-(N,N-DIMETHYLAMINO)-1H-INDENE molecular structure lightbox
CAS RN: 540492-51-1

1-DI-I-PROPYLPHOSPHINO-2-(N,N-DIMETHYLAMINO)-1H-INDENE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260419 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS540492-51-1
  • Purity/Analytical Methods: >99.0%
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540492-51-1 / 1-di(propan-2-yl)phosphanyl-N,N-dimethyl-1H-inden-2-amine

Standard CAS: 540492-51-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
540492-51-1
Multi CAS
No
Molecular Formula
C17H26NP
Molecular Weight
275.400000
Exact Mass
275.180287
InChI
InChI=1S/C17H26NP/c1-12(2)19(13(3)4)17-15-10-8-7-9-14(15)11-16(17)18(5)6/h7-13,17H,1-6H3
InChIKey
AXHDIGXWRNPNMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
88.04
TPSA
3.24

LogP / Solubility

WLOGP
4.94
MLOGP
4.36
XLogP3
3.4
Consensus LogP
4.23
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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