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CAS 5804-73-9 5-Acetylamino-2-methoxybenzenesulfonyl chloride molecular structure lightbox
CAS RN: 5804-73-9

5-Acetylamino-2-methoxybenzenesulfonyl chloride

  • Product code: SSC-166248
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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: 0.25g
  • 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 5804-73-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

5804-73-9 / 5-acetamido-2-methoxybenzenesulfonyl chloride

Standard CAS: 5804-73-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5804-73-9
Multi CAS
Yes
Molecular Formula
C9H10CLNO4S
Molecular Weight
263.700000
Exact Mass
263.001907
InChI
InChI=1S/C9H10ClNO4S/c1-6(12)11-7-3-4-8(15-2)9(5-7)16(10,13)14/h3-5H,1-2H3,(H,11,12)
InChIKey
VWKRNDWDKNOMAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.34
TPSA
72.47

LogP / Solubility

WLOGP
1.58
MLOGP
1.4
XLogP3
1.2
Consensus LogP
1.39
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
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
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21

Drug-likeness / Medicinal Chemistry

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

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