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CAS 36056-90-3 Ethyl 3,3-diethoxy-2-Methylpropanoate molecular structure lightbox
CAS RN: 36056-90-3

Ethyl 3,3-diethoxy-2-Methylpropanoate

  • Product code: SSC-143166
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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 36056-90-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

36056-90-3 / ethyl 3,3-diethoxy-2-methylpropanoate

Standard CAS: 36056-90-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36056-90-3
Multi CAS
Yes
Molecular Formula
C10H20O4
Molecular Weight
204.260000
Exact Mass
204.136159
InChI
InChI=1S/C10H20O4/c1-5-12-9(11)8(4)10(13-6-2)14-7-3/h8,10H,5-7H2,1-4H3
InChIKey
OWPLJDFJJDEKQA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
52.84
TPSA
44.76

LogP / Solubility

WLOGP
1.58
MLOGP
1.4
XLogP3
1.6
Consensus LogP
1.53
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
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)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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