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CAS 174727-36-7 ETHYL 3-(2,6-DICHLOROPYRIDIN-3-YL)-3-OXOPROPANOATE molecular structure lightbox
CAS RN: 174727-36-7

ETHYL 3-(2,6-DICHLOROPYRIDIN-3-YL)-3-OXOPROPANOATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250827 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-076646
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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 174727-36-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

174727-36-7 / ethyl 3-(2,6-dichloro-3-pyridinyl)-3-oxopropanoate

Standard CAS: 174727-36-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
174727-36-7
Multi CAS
No
Molecular Formula
C10H9Cl2NO3
Molecular Weight
262.090000
Exact Mass
260.995949
SMILES
CCOC(=O)CC(=O)C1=C(N=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H9Cl2NO3/c1-2-16-9(15)5-7(14)6-3-4-8(11)13-10(6)12/h3-4H,2,5H2,1H3
InChIKey
WVBZLXLYMRZGOY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
59.84
TPSA
56.26

LogP / Solubility

WLOGP
2.52
MLOGP
2.23
XLogP3
2.8
Consensus LogP
2.52
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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