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CAS 151720-43-3 OXAMFLATIN molecular structure lightbox
CAS RN: 151720-43-3

OXAMFLATIN

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251128 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS151720-43-3
  • Purity/Analytical Methods: >99.0%
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151720-43-3 / (E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide

Standard CAS: 151720-43-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151720-43-3
Multi CAS
No
Molecular Formula
C17H14N2O4S
Molecular Weight
342.400000
Exact Mass
342.067428
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#C/C=C/C(=O)NO
InChI
InChI=1S/C17H14N2O4S/c20-17(18-21)12-5-4-7-14-8-6-9-15(13-14)19-24(22,23)16-10-2-1-3-11-16/h1-3,5-6,8-13,19,21H,(H,18,20)/b12-5+
InChIKey
QRPSQQUYPMFERG-LFYBBSHMSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
89.64
TPSA
95.5

LogP / Solubility

WLOGP
1.9
MLOGP
1.69
XLogP3
2.1
Consensus LogP
1.9
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46

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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