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CAS 355001-37-5 4-(Cyclopropylsulfamoyl)acetanilide molecular structure lightbox
CAS RN: 355001-37-5

4-(Cyclopropylsulfamoyl)acetanilide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251215 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS355001-37-5
  • Purity/Analytical Methods: >99.0%
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355001-37-5 / N-[4-(cyclopropylsulfamoyl)phenyl]acetamide

Standard CAS: 355001-37-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
355001-37-5
Multi CAS
No
Molecular Formula
C11H14N2O3S
Molecular Weight
254.310000
Exact Mass
254.072513
InChI
InChI=1S/C11H14N2O3S/c1-8(14)12-9-4-6-11(7-5-9)17(15,16)13-10-2-3-10/h4-7,10,13H,2-3H2,1H3,(H,12,14)
InChIKey
BYZRLJNMOKWJQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.09
TPSA
75.27

LogP / Solubility

WLOGP
1.09
MLOGP
0.96
XLogP3
0.9
Consensus LogP
0.98
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5

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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