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CAS 130408-83-2 3-Chloro-1-[tris(1-methylethyl)silyl]-1H-pyrrole molecular structure lightbox
CAS RN: 130408-83-2

3-Chloro-1-[tris(1-methylethyl)silyl]-1H-pyrrole

  • Product code: SSC-037049
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 130408-83-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

130408-83-2 / (3-chloropyrrol-1-yl)-tri(propan-2-yl)silane

Standard CAS: 130408-83-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130408-83-2
Multi CAS
No
Molecular Formula
C13H24ClNSi
Molecular Weight
257.870000
Exact Mass
257.136654
SMILES
CC(C)[Si](C(C)C)(C(C)C)N1C=CC(=C1)Cl
InChI
InChI=1S/C13H24ClNSi/c1-10(2)16(11(3)4,12(5)6)15-8-7-13(14)9-15/h7-12H,1-6H3
InChIKey
WWVVGLOBNGEKHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.69
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
75.89
TPSA
4.93

LogP / Solubility

WLOGP
5.17
MLOGP
4.55
XLogP3
5.17
Consensus LogP
4.96
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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