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CAS 154012-15-4 4,6-Dichloro-5-nitronicotinic acid ethyl ester molecular structure lightbox
CAS RN: 154012-15-4

4,6-Dichloro-5-nitronicotinic acid ethyl ester

  • Product code: SSC-063390
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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, 1g, 5g, 25g, 10g, 0.25g, 1000g
  • Available purity: >98%
  • Inventory rows with stock: 12
  • 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 154012-15-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Beijing Inquiry
0.1g >98% 5 In Stock Beijing Inquiry
1g -- 5 In Stock Beijing Inquiry
1g >98% 5 In Stock Beijing Inquiry
5g -- 5 In Stock Beijing Inquiry
5g >98% 5 In Stock Hong Kong Inquiry
25g -- 5 In Stock Beijing Inquiry
25g >98% 5 In Stock Shanghai Inquiry
10g -- 4 In Stock Hong Kong Inquiry
10g >98% 4 In Stock Hong Kong Inquiry
0.25g -- 2 In Stock Beijing Inquiry
0.25g >98% 2 In Stock Shenzhen Inquiry
1000g -- 0 Out of Stock Shenzhen Inquiry

154012-15-4 / ethyl 4,6-dichloro-5-nitropyridine-3-carboxylate

Standard CAS: 154012-15-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
154012-15-4
Multi CAS
No
Molecular Formula
C8H6Cl2N2O4
Molecular Weight
265.050000
Exact Mass
263.970462
SMILES
CCOC(=O)C1=CN=C(C(=C1Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C8H6Cl2N2O4/c1-2-16-8(13)4-3-11-7(10)6(5(4)9)12(14)15/h3H,2H2,1H3
InChIKey
VMNMZVKEDHEOEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
56.87
TPSA
82.33

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
2.5
Consensus LogP
2.38
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly 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)
-2.58

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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