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CAS 329-20-4 p-acetamidobenzenesulphonyl fluoride molecular structure lightbox
CAS RN: 329-20-4

p-acetamidobenzenesulphonyl fluoride

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260321 1g In stock Inquiry
Batchno.20260414 250mg In stock Inquiry
Batchno.20260211 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250517 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS329-20-4
  • Purity/Analytical Methods: >99.0%
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329-20-4 / 4-acetamidobenzenesulfonyl fluoride

Standard CAS: 329-20-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
329-20-4
Multi CAS
Yes
Molecular Formula
C8FH8NO3S
Molecular Weight
217.220000
Exact Mass
217.020892
InChI
InChI=1S/C8H8FNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)
InChIKey
HRQHLUBMODFETM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.04
TPSA
63.24

LogP / Solubility

WLOGP
1.3
MLOGP
1.15
XLogP3
2.2
Consensus LogP
1.55
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-3.12

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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