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CAS 66787-73-3 tert-butyl 1-Methyl-1H-iMidazol-5-ylcarbaMate molecular structure lightbox
CAS RN: 66787-73-3

tert-butyl 1-Methyl-1H-iMidazol-5-ylcarbaMate

  • Product code: SSC-176432
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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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 66787-73-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry
10g >95% 0 Out of Stock Beijing Inquiry

66787-73-3 / tert-butyl N-(3-methylimidazol-4-yl)carbamate

Standard CAS: 66787-73-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66787-73-3
Multi CAS
No
Molecular Formula
C9H15N3O2
Molecular Weight
197.230000
Exact Mass
197.116427
InChI
InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)11-7-5-10-6-12(7)4/h5-6H,1-4H3,(H,11,13)
InChIKey
PEKVFQUSUDBNKI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.06
TPSA
56.15

LogP / Solubility

WLOGP
1.77
MLOGP
1.55
XLogP3
0.9
Consensus LogP
1.41
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67

Drug-likeness / Medicinal Chemistry

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

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