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CAS 97-41-6 Ethyl 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-carboxylate molecular structure lightbox
CAS RN: 97-41-6

Ethyl 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-carboxylate

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260114 1ml In stock Inquiry
  • Product code: SSC-212168
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25ml, 100ml, 500ml
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 97-41-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml >97% 0 Out of Stock Hong Kong Inquiry
100ml >97% 0 Out of Stock Hong Kong Inquiry
500ml >97% 0 Out of Stock Beijing Inquiry

97-41-6 / ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

Standard CAS: 97-41-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97-41-6
Multi CAS
Yes
Molecular Formula
C12H20O2
Molecular Weight
196.290000
Exact Mass
196.146330
InChI
InChI=1S/C12H20O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3
InChIKey
VIMXTGUGWLAOFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
56.83
TPSA
26.3

LogP / Solubility

WLOGP
2.79
MLOGP
2.45
XLogP3
4.1
Consensus LogP
3.11
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly 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)
-1.94

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
2.5

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