[email protected]
CAS 107322-01-0 isoquinolin-6-sulfonyl chloride molecular structure lightbox
CAS RN: 107322-01-0

isoquinolin-6-sulfonyl chloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250602 100mg / 250mg Out of stock 1 business days Inquiry
  • Product code: SSC-008867
GET A QUOTE
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: 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 107322-01-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

107322-01-0 / isoquinoline-6-sulfonyl chloride

Isoquinoline-6-sulfonyl chloride | isoquinolin-6-sulfonyl chloride | 6-Isoquinolinesulfonyl chloride

Standard CAS: 107322-01-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
107322-01-0
Multi CAS
No
Molecular Formula
C9H6ClNO2S
Molecular Weight
227.670000
Exact Mass
226.980777
SMILES
C1=CC2=C(C=CN=C2)C=C1S(=O)(=O)Cl
InChI
InChI=1S/C9H6ClNO2S/c10-14(12,13)9-2-1-8-6-11-4-3-7(8)5-9/h1-6H
InChIKey
KWADYKRPIUHOTO-UHFFFAOYSA-N
Synonyms
Isoquinoline-6-sulfonyl chloride isoquinolin-6-sulfonyl chloride 6-Isoquinolinesulfonyl chloride MFCD12406172 6-chlorosulfonylisoquinoline

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
54.78
TPSA
47.03

LogP / Solubility

WLOGP
2.16
MLOGP
1.91
XLogP3
2.3
Consensus LogP
2.12
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly 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)
-2.57

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us