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CAS 5296-70-8 2-Ethyl-2-methylbutyric acid methyl ester molecular structure lightbox
CAS RN: 5296-70-8

2-Ethyl-2-methylbutyric acid methyl ester

  • Product code: SSC-160128
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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: 1g
  • Available purity: ≥95%
  • 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 5296-70-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

5296-70-8 / methyl 2-ethyl-2-methylbutanoate

Standard CAS: 5296-70-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5296-70-8
Multi CAS
No
Molecular Formula
C8H16O2
Molecular Weight
144.210000
Exact Mass
144.115030
InChI
InChI=1S/C8H16O2/c1-5-8(3,6-2)7(9)10-4/h5-6H2,1-4H3
InChIKey
RUFXPLNQCKJCCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
40.71
TPSA
26.3

LogP / Solubility

WLOGP
1.99
MLOGP
1.74
XLogP3
2.2
Consensus LogP
1.98
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.19

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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