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CAS 21483-64-7 tert-butyl (2-broMothiophen-3-yl)carbaMate molecular structure lightbox
CAS RN: 21483-64-7

tert-butyl (2-broMothiophen-3-yl)carbaMate

  • Product code: SSC-102996
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 21483-64-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Shenzhen Inquiry
5g >97% 2 In Stock Shanghai Inquiry
10g >97% 2 In Stock Shanghai Inquiry
25g >97% 2 In Stock Hong Kong Inquiry

21483-64-7 / tert-butyl N-(2-bromothiophen-3-yl)carbamate

Standard CAS: 21483-64-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21483-64-7
Multi CAS
No
Molecular Formula
C9H12BrNO2S
Molecular Weight
278.170000
Exact Mass
276.977210
SMILES
CC(C)(C)OC(=O)NC1=C(SC=C1)Br
InChI
InChI=1S/C9H12BrNO2S/c1-9(2,3)13-8(12)11-6-4-5-14-7(6)10/h4-5H,1-3H3,(H,11,12)
InChIKey
UCPJQSLSJLTVND-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.88
TPSA
38.33

LogP / Solubility

WLOGP
3.86
MLOGP
3.4
XLogP3
3.2
Consensus LogP
3.49
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
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)
-1.68

Drug-likeness / Medicinal Chemistry

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

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