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CAS 31794-45-3 3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-SULFONYL CHLORIDE molecular structure lightbox
CAS RN: 31794-45-3

3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-SULFONYL CHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250618 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-137242
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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 31794-45-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

31794-45-3 / 3-oxo-4H-1,4-benzoxazine-6-sulfonyl chloride

Standard CAS: 31794-45-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31794-45-3
Multi CAS
Yes
Molecular Formula
C8H6CLNO4S
Molecular Weight
247.660000
Exact Mass
246.970607
InChI
InChI=1S/C8H6ClNO4S/c9-15(12,13)5-1-2-7-6(3-5)10-8(11)4-14-7/h1-3H,4H2,(H,10,11)
InChIKey
CGTCULUUVYBAPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.61
TPSA
72.47

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
0.9
Consensus LogP
0.9
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-3.56

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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