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CAS 1458-18-0 METHYL 3-AMINO-5,6-DICHLORO-2-PYRAZINECARBOXYLATE molecular structure lightbox
CAS RN: 1458-18-0

METHYL 3-AMINO-5,6-DICHLORO-2-PYRAZINECARBOXYLATE

  • Product code: SSC-057022
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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: 5g, 10g, 25g, 100g, 1g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 1458-18-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Beijing Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
100g >97% 5 In Stock Shenzhen Inquiry
1g >97% 4 In Stock Shenzhen Inquiry
500g >97% 0 Out of Stock Hong Kong Inquiry

1458-18-0 / methyl 3-amino-5,6-dichloropyrazine-2-carboxylate

Standard CAS: 1458-18-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1458-18-0
Multi CAS
No
Molecular Formula
C6H5Cl2N3O2
Molecular Weight
222.030000
Exact Mass
220.975882
SMILES
COC(=O)C1=C(N=C(C(=N1)Cl)Cl)N
InChI
InChI=1S/C6H5Cl2N3O2/c1-13-6(12)2-5(9)11-4(8)3(7)10-2/h1H3,(H2,9,11)
InChIKey
USYMCUGEGUFUBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
47.8
TPSA
78.1

LogP / Solubility

WLOGP
1.15
MLOGP
1.02
XLogP3
2.1
Consensus LogP
1.42
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-3.26

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (91.8%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (91.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (81.6%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (91.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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