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CAS 147528-20-9 2-Propenyl-2-propynylcarbamic acid tert-butyl ester molecular structure lightbox
CAS RN: 147528-20-9

2-Propenyl-2-propynylcarbamic acid tert-butyl ester

  • Product code: SSC-058136
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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, 0.1g, 0.25g, 5g, 10g, 25g
  • Available purity: ≥95%
  • 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 147528-20-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry
10g ≥95% 1 In Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

147528-20-9 / tert-butyl N-prop-2-enyl-N-prop-2-ynylcarbamate

Standard CAS: 147528-20-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
147528-20-9
Multi CAS
No
Molecular Formula
C11H17NO2
Molecular Weight
195.260000
Exact Mass
195.125929
SMILES
CC(C)(C)OC(=O)N(CC=C)CC#C
InChI
InChI=1S/C11H17NO2/c1-6-8-12(9-7-2)10(13)14-11(3,4)5/h1,7H,2,8-9H2,3-5H3
InChIKey
JJOBBHMBMRQQHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
56.84
TPSA
29.54

LogP / Solubility

WLOGP
2.04
MLOGP
1.8
XLogP3
1.9
Consensus LogP
1.91
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.46

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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