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CAS 135072-61-6 2,3,4,5-TETRAMETHYLCYCLOPENTADIENEDIMETHYLSILYL-TERT-BUTYLAMIDO TITANIUM DICHLORIDE molecular structure lightbox
CAS RN: 135072-61-6

2,3,4,5-TETRAMETHYLCYCLOPENTADIENEDIMETHYLSILYL-TERT-BUTYLAMIDO TITANIUM DICHLORIDE

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250701 100mg Out of stock Inquiry
Batchno.20260421 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batchno.20251031 1g Out of stock Inquiry
Batchno.20260605 250mg Out of stock Inquiry
  • Product code: starshine_CAS135072-61-6
  • Purity/Analytical Methods: >99.0%
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135072-61-6 / 2,3,4,5-TETRAMETHYLCYCLOPENTADIENEDIMETHYLSILYL-TERT-BUTYLAMIDO TITANIUM DICHLORIDE

Standard CAS: 135072-61-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
135072-61-6
Multi CAS
No
Molecular Formula
C15H27Cl2NSiTi-
Molecular Weight
368.200000
Exact Mass
367.076922
SMILES
CC1=C([C](C(=C1C)[Si](C)(C)[N-]C(C)(C)C)C)C.Cl[Ti]Cl
InChI
InChI=1S/C15H27NSi.2ClH.Ti/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;/h1-9H3;2*1H;/q-1;;;+2/p-2
InChIKey
OXQYDCCXYYUFSZ-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
92.29
TPSA
14.1

LogP / Solubility

WLOGP
6.54
MLOGP
5.78
XLogP3
6.54
Consensus LogP
6.29
Log S (ESOL)
-6.11
Class (ESOL)
Insoluble
Log S (Ali)
-7.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.72
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.32

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
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

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