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CAS 125542-04-3 N-TERT-BUTYL-1,1-DIMETHYL-1-(2,3,4,5-TETRAMETHYL-2,4-CYCLOPENTADIEN-1-YL) SILANAMINE molecular structure lightbox
CAS RN: 125542-04-3

N-TERT-BUTYL-1,1-DIMETHYL-1-(2,3,4,5-TETRAMETHYL-2,4-CYCLOPENTADIEN-1-YL) SILANAMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260209 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS125542-04-3
  • Purity/Analytical Methods: >99.0%
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125542-04-3 / N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine

Standard CAS: 125542-04-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
125542-04-3
Multi CAS
No
Molecular Formula
C15H29NSi
Molecular Weight
251.480000
Exact Mass
251.206926
SMILES
CC1=C(C(=C(C1[Si](C)(C)NC(C)(C)C)C)C)C
InChI
InChI=1S/C15H29NSi/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7/h14,16H,1-9H3
InChIKey
ZXPSQIUMSOPNIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
80.87
TPSA
12.03

LogP / Solubility

WLOGP
4.64
MLOGP
4.09
XLogP3
4.64
Consensus LogP
4.46
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
Class (SILICOS-IT)
Slightly soluble

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)
-0.96

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
1.5

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