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CAS 87630-36-2 3-Bromo-1-(triisopropylsilyl)pyrrole molecular structure lightbox
CAS RN: 87630-36-2

3-Bromo-1-(triisopropylsilyl)pyrrole

  • Product code: SSC-197791
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 25g, 5g, 10g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 87630-36-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
25g >97% 4 In Stock Beijing Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g >97% 1 In Stock Shenzhen Inquiry
100g >97% 1 In Stock Beijing Inquiry

87630-36-2 / (3-bromopyrrol-1-yl)-tri(propan-2-yl)silane

Standard CAS: 87630-36-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
87630-36-2
Multi CAS
No
Molecular Formula
BC13H24RnSi
Molecular Weight
302.330000
Exact Mass
301.086140
InChI
InChI=1S/C13H24BrNSi/c1-10(2)16(11(3)4,12(5)6)15-8-7-13(14)9-15/h7-12H,1-6H3
InChIKey
CNAUTMPRKBSDLH-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
78.58
TPSA
4.93

LogP / Solubility

WLOGP
5.27
MLOGP
4.65
XLogP3
5.27
Consensus LogP
5.06
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.48
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.82

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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