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CAS 14002-73-4 Ethyl 3-hydroxy-2,2-diMethylpropanoate molecular structure lightbox
CAS RN: 14002-73-4

Ethyl 3-hydroxy-2,2-diMethylpropanoate

  • Product code: SSC-050495
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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: 10g, 25g
  • 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 14002-73-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

14002-73-4 / ethyl 3-hydroxy-2,2-dimethylpropanoate

Standard CAS: 14002-73-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14002-73-4
Multi CAS
No
Molecular Formula
C7H14O3
Molecular Weight
146.180000
Exact Mass
146.094294
SMILES
CCOC(=O)C(C)(C)CO
InChI
InChI=1S/C7H14O3/c1-4-10-6(9)7(2,3)5-8/h8H,4-5H2,1-3H3
InChIKey
JBDMHPJPFPMZLI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.5
TPSA
46.53

LogP / Solubility

WLOGP
0.57
MLOGP
0.49
XLogP3
0.7
Consensus LogP
0.59
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
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)
-3.21

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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