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CAS 27741-65-7 ACETIC ACID, 2-CYCLOBUTYLIDENE-, ETHYL ESTER molecular structure lightbox
CAS RN: 27741-65-7

ACETIC ACID, 2-CYCLOBUTYLIDENE-, ETHYL ESTER

  • Product code: SSC-128095
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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, 100g
  • Available purity: >97%
  • Inventory rows with stock: 7
  • 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 27741-65-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 4 In Stock Hong Kong Inquiry
100g >97% 2 In Stock Beijing Inquiry

27741-65-7 / ethyl 2-cyclobutylideneacetate

Standard CAS: 27741-65-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27741-65-7
Multi CAS
No
Molecular Formula
C8H12O2
Molecular Weight
140.180000
Exact Mass
140.083730
SMILES
CCOC(=O)C=C1CCC1
InChI
InChI=1S/C8H12O2/c1-2-10-8(9)6-7-4-3-5-7/h6H,2-5H2,1H3
InChIKey
FGCGWHVDPBOFJE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
38.57
TPSA
26.3

LogP / Solubility

WLOGP
1.66
MLOGP
1.45
XLogP3
1.4
Consensus LogP
1.5
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.19
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)
-2.4

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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