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CAS 70180-38-0 2-Chloro-4,6-dihydroxypyridine-3-carboxaylic acid ethyl ester molecular structure lightbox
CAS RN: 70180-38-0

2-Chloro-4,6-dihydroxypyridine-3-carboxaylic acid ethyl ester

  • Product code: SSC-179987
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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: 1g, 5g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 70180-38-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Shanghai Inquiry
5g ≥95% 3 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

70180-38-0 / ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

Standard CAS: 70180-38-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70180-38-0
Multi CAS
Yes
Molecular Formula
C8H8CLNO4
Molecular Weight
217.600000
Exact Mass
217.014185
InChI
InChI=1S/C8H8ClNO4/c1-2-14-8(13)6-4(11)3-5(12)10-7(6)9/h3H,2H2,1H3,(H2,10,11,12)
InChIKey
XAMKYZWQQAAKRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.69
TPSA
79.39

LogP / Solubility

WLOGP
0.91
MLOGP
0.8
XLogP3
0.9
Consensus LogP
0.87
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4

Drug-likeness / Medicinal Chemistry

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

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