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CAS 1214347-24-6 Ethyl 5-broMo-6-oxo-1,6-dihydropyridine-2-carboxylate molecular structure lightbox
CAS RN: 1214347-24-6

Ethyl 5-broMo-6-oxo-1,6-dihydropyridine-2-carboxylate

  • Product code: SSC-023752
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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 1214347-24-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1214347-24-6 / ethyl 5-chloro-6-oxo-1H-pyridine-2-carboxylate

Standard CAS: 1214347-24-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1214347-24-6
Multi CAS
No
Molecular Formula
C8H8ClNO3
Molecular Weight
201.610000
Exact Mass
201.019271
SMILES
CCOC(=O)C1=CC=C(C(=O)N1)Cl
InChI
InChI=1S/C8H8ClNO3/c1-2-13-8(12)6-4-3-5(9)7(11)10-6/h3-4H,2H2,1H3,(H,10,11)
InChIKey
AYVCSLFFUTVMGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.03
TPSA
59.16

LogP / Solubility

WLOGP
1.21
MLOGP
1.06
XLogP3
1.5
Consensus LogP
1.26
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-3.09

Drug-likeness / Medicinal Chemistry

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

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