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CAS 250674-51-2 4-Chloro-[1,7]naphthyridine-2-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 250674-51-2

4-Chloro-[1,7]naphthyridine-2-carboxylic acid ethyl ester

  • Product code: SSC-120580
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 250674-51-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

250674-51-2 / ethyl 4-chloro-1,7-naphthyridine-2-carboxylate

Standard CAS: 250674-51-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
250674-51-2
Multi CAS
No
Molecular Formula
C11H9ClN2O2
Molecular Weight
236.650000
Exact Mass
236.035255
SMILES
CCOC(=O)C1=NC2=C(C=CN=C2)C(=C1)Cl
InChI
InChI=1S/C11H9ClN2O2/c1-2-16-11(15)9-5-8(12)7-3-4-13-6-10(7)14-9/h3-6H,2H2,1H3
InChIKey
XXWINXGVBMPCCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
60.5
TPSA
52.08

LogP / Solubility

WLOGP
2.46
MLOGP
2.17
XLogP3
2.3
Consensus LogP
2.31
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

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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