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CAS 161314-17-6 AcetaMide, N-hydroxy-2-[[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)aMino]- molecular structure lightbox
CAS RN: 161314-17-6

AcetaMide, N-hydroxy-2-[[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)aMino]-

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260416 100mg In stock Shanghai Inquiry
Batchno.20250523 250mg Out of stock Inquiry
Batchno.20260505 25mg In stock Shanghai Inquiry
Batchno.20250808 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS161314-17-6
  • Purity/Analytical Methods: >99.0%
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161314-17-6 / N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetamide

Standard CAS: 161314-17-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
161314-17-6
Multi CAS
No
Molecular Formula
C13H20N2O5S
Molecular Weight
316.380000
Exact Mass
316.109293
SMILES
CC(C)CN(CC(=O)NO)S(=O)(=O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
InChIKey
JIRXORZYIXSWOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
76.52
TPSA
95.94

LogP / Solubility

WLOGP
0.85
MLOGP
0.76
XLogP3
1.2
Consensus LogP
0.94
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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