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CAS 1427360-81-3 ethyl 3-(3-fluoropyridin-2-yl)propanoate molecular structure lightbox
CAS RN: 1427360-81-3

ethyl 3-(3-fluoropyridin-2-yl)propanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251011 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-053628
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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: ＞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 1427360-81-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1427360-81-3 / ethyl 3-(3-fluoro-2-pyridinyl)propanoate

Standard CAS: 1427360-81-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427360-81-3
Multi CAS
No
Molecular Formula
C10H12FNO2
Molecular Weight
197.210000
Exact Mass
197.085207
SMILES
CCOC(=O)CCC1=C(C=CC=N1)F
InChI
InChI=1S/C10H12FNO2/c1-2-14-10(13)6-5-9-8(11)4-3-7-12-9/h3-4,7H,2,5-6H2,1H3
InChIKey
YQIGTCFQZVNVEH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
49.15
TPSA
39.19

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
1.4
Consensus LogP
1.54
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-2.7

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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