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CAS 1422502-60-0 N/A molecular structure lightbox
CAS RN: 1422502-60-0

N/A

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260327 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-053037
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1422502-60-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Beijing Inquiry

1422502-60-0 / 2,4-dichloro-6-methylsulfonylquinoline

Standard CAS: 1422502-60-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1422502-60-0
Multi CAS
No
Molecular Formula
C10H7Cl2NO2S
Molecular Weight
276.140000
Exact Mass
274.957455
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2Cl)Cl
InChI
InChI=1S/C10H7Cl2NO2S/c1-16(14,15)6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5H,1H3
InChIKey
ZYKFCVNHQYUCIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
64.87
TPSA
47.03

LogP / Solubility

WLOGP
2.95
MLOGP
2.6
XLogP3
3
Consensus LogP
2.85
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

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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