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CAS 120690-70-2 ethyl 2-Methyl-2-(pyridin-3-yl)propanoate molecular structure lightbox
CAS RN: 120690-70-2

ethyl 2-Methyl-2-(pyridin-3-yl)propanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250621 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-021778
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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 120690-70-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

120690-70-2 / ethyl 2-methyl-2-pyridin-3-ylpropanoate

ETHYL 2-METHYL-2-(PYRIDIN-3-YL)PROPANOATE | MFCD16036502 | Ethyl 2-Methyl-2-(3-pyridyl)propionate

Standard CAS: 120690-70-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
120690-70-2
Multi CAS
No
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
SMILES
CCOC(=O)C(C)(C)C1=CN=CC=C1
InChI
InChI=1S/C11H15NO2/c1-4-14-10(13)11(2,3)9-6-5-7-12-8-9/h5-8H,4H2,1-3H3
InChIKey
HAQNTRLXFACSDY-UHFFFAOYSA-N
Synonyms
ETHYL 2-METHYL-2-(PYRIDIN-3-YL)PROPANOATE MFCD16036502 Ethyl 2-Methyl-2-(3-pyridyl)propionate ethyl 2-methyl-2-pyridin-3-ylpropanoate ethyl 2-methyl-2-(pyridin-3-yl)propionate

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
53.9
TPSA
39.19

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
1.9
Consensus LogP
1.84
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.53

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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