CAS 1801693-86-6 3-((2-amino-3-chloropyridin-4-yl)thio)-6-chloropyrazin-2-amine molecular structure

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CAS RN: 1801693-86-6

3-((2-amino-3-chloropyridin-4-yl)thio)-6-chloropyrazin-2-amine

Product code: SSC-080541

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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: 0.25g, 0.1g
Available purity: ≥95%
Inventory rows with stock: 1
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 1801693-86-6
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.25g	≥95%	2 In Stock	Beijing	Inquiry
0.1g	≥95%	0 Out of Stock	Beijing	Inquiry

1801693-86-6 / 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine

Standard CAS: 1801693-86-6 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1801693-86-6

Multi CAS

Molecular Formula

C9H7Cl2N5S

Molecular Weight

288.160000

Exact Mass

286.979922

SMILES

C1=CN=C(C(=C1SC2=NC=C(N=C2N)Cl)Cl)N

InChI

InChI=1S/C9H7Cl2N5S/c10-5-3-15-9(8(13)16-5)17-4-1-2-14-7(12)6(4)11/h1-3H,(H2,12,14)(H2,13,16)

InChIKey

XMLJLHMBVQJFFR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

69.24

TPSA

90.71

LogP / Solubility

WLOGP

2.49

MLOGP

2.21

XLogP3

Consensus LogP

2.23

Log S (ESOL)

-3.59

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.72

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-3.84

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.71

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Yes

Synthetic Accessibility

1.5

Applications of CAS 1801693-86-6

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1801693-86-6 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.