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CAS 2055841-11-5 3-((3-AMINO-2-CHLOROPHENYL)THIO)-6-CHLOROPYRAZIN-2-AMINE molecular structure lightbox
CAS RN: 2055841-11-5

3-((3-AMINO-2-CHLOROPHENYL)THIO)-6-CHLOROPYRAZIN-2-AMINE

  • Product code: SSC-096801
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 2055841-11-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 2 In Stock Shenzhen Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Hong Kong Inquiry

2055841-11-5 / 3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine

Standard CAS: 2055841-11-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055841-11-5
Multi CAS
No
Molecular Formula
C10H8Cl2N4S
Molecular Weight
287.170000
Exact Mass
285.984673
SMILES
C1=CC(=C(C(=C1)SC2=NC=C(N=C2N)Cl)Cl)N
InChI
InChI=1S/C10H8Cl2N4S/c11-7-4-15-10(9(14)16-7)17-6-3-1-2-5(13)8(6)12/h1-4H,13H2,(H2,14,16)
InChIKey
VQAQTZNNHVMDPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
71.44
TPSA
77.82

LogP / Solubility

WLOGP
3.1
MLOGP
2.74
XLogP3
2.7
Consensus LogP
2.85
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

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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