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CAS 321309-40-4 5-(1,3-OXAZOL-5-YL)-2-THIOPHENESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 321309-40-4

5-(1,3-OXAZOL-5-YL)-2-THIOPHENESULFONYL CHLORIDE

  • Product code: SSC-137639
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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: 1g
  • 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 321309-40-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

321309-40-4 / 5-(1,3-oxazol-5-yl)thiophene-2-sulfonyl chloride

Standard CAS: 321309-40-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
321309-40-4
Multi CAS
No
Molecular Formula
C7H4CLNO3S2
Molecular Weight
249.700000
Exact Mass
248.932113
InChI
InChI=1S/C7H4ClNO3S2/c8-14(10,11)7-2-1-6(13-7)5-3-9-4-12-5/h1-4H
InChIKey
MAGTZUMWQUDWAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
52.85
TPSA
60.17

LogP / Solubility

WLOGP
2.33
MLOGP
2.06
XLogP3
2.1
Consensus LogP
2.16
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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)
-2.59

Drug-likeness / Medicinal Chemistry

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

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