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CAS 1243308-37-3 Ethyl 2-((5-chloropyridin-2-yl)amino)-2-oxoacetate hydrochloride molecular structure lightbox
CAS RN: 1243308-37-3

Ethyl 2-((5-chloropyridin-2-yl)amino)-2-oxoacetate hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250509 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-028232
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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: 100g
  • 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 1243308-37-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

1243308-37-3 / ethyl 2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetate;hydrochloride

Standard CAS: 1243308-37-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1243308-37-3
Multi CAS
No
Molecular Formula
C9H10Cl2N2O3
Molecular Weight
265.090000
Exact Mass
264.006848
SMILES
CCOC(=O)C(=O)NC1=NC=C(C=C1)Cl.Cl
InChI
InChI=1S/C9H9ClN2O3.ClH/c1-2-15-9(14)8(13)12-7-4-3-6(10)5-11-7;/h3-5H,2H2,1H3,(H,11,12,13);1H
InChIKey
AZWJPQKNPCTYCU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.76
TPSA
68.29

LogP / Solubility

WLOGP
1.66
MLOGP
1.47
XLogP3
1.66
Consensus LogP
1.6
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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