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CAS 321309-38-0 3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-SULFONYL CHLORIDE molecular structure lightbox
CAS RN: 321309-38-0

3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-SULFONYL CHLORIDE

Product Availability

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6 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250401 100mg Out of stock Inquiry
Batchno.20250201 10g Out of stock Inquiry
Batchno.20250127 1g Out of stock Inquiry
Batchno.20250113 250mg Out of stock Inquiry
Batchno.20250911 50mg Out of stock Inquiry
Batchno.20250808 5g Out of stock Inquiry
  • Product code: SSC-137638
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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 321309-38-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

321309-38-0 / 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride

Standard CAS: 321309-38-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
321309-38-0
Multi CAS
No
Molecular Formula
C9H9CLO4S
Molecular Weight
248.680000
Exact Mass
247.991008
InChI
InChI=1S/C9H9ClO4S/c10-15(11,12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6H,1,4-5H2
InChIKey
ADAGPISZFDLGCR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
55.09
TPSA
52.6

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
1.9
Consensus LogP
1.75
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98

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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