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CAS 10543-42-7 COUMARIN-6-SULFONYL CHLORIDE molecular structure lightbox
CAS RN: 10543-42-7

COUMARIN-6-SULFONYL CHLORIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260216 250mg / 1g / 5g Confirm by inquiry Shanghai, Chongqing Inquiry
  • Product code: SSC-007172
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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: 5g
  • Available purity: ≥95%
  • 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 10543-42-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

10543-42-7 / 2-oxochromene-6-sulfonyl chloride

Coumarin-6-sulfonyl chloride | DTXSID20370979 | RefChem:128247

Standard CAS: 10543-42-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10543-42-7
Multi CAS
Yes
Molecular Formula
C9H5ClO4S
Molecular Weight
244.650000
Exact Mass
243.959708
SMILES
C1=CC2=C(C=CC(=O)O2)C=C1S(=O)(=O)Cl
InChI
InChI=1S/C9H5ClO4S/c10-15(12,13)7-2-3-8-6(5-7)1-4-9(11)14-8/h1-5H
InChIKey
HQIPMBGUDSOVEA-UHFFFAOYSA-N
Synonyms
Coumarin-6-sulfonyl chloride DTXSID20370979 RefChem:128247 DTXCID60322013 2-Oxo-2H-chromene-6-sulfonyl chloride

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
55.52
TPSA
64.35

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
1.4
Consensus LogP
1.55
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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