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CAS 385403-85-0 Piperazine, 1-ethyl-4-[(4-nitrophenyl)sulfonyl]- molecular structure lightbox
CAS RN: 385403-85-0

Piperazine, 1-ethyl-4-[(4-nitrophenyl)sulfonyl]-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260630 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS385403-85-0
  • Purity/Analytical Methods: >99.0%
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385403-85-0 / 1-ethyl-4-(4-nitrophenyl)sulfonylpiperazine

Standard CAS: 385403-85-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
385403-85-0
Multi CAS
No
Molecular Formula
C12H17N3O4S
Molecular Weight
299.350000
Exact Mass
299.093977
InChI
InChI=1S/C12H17N3O4S/c1-2-13-7-9-14(10-8-13)20(18,19)12-5-3-11(4-6-12)15(16)17/h3-6H,2,7-10H2,1H3
InChIKey
AIQYAXMCDYSBKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
73.97
TPSA
83.76

LogP / Solubility

WLOGP
0.92
MLOGP
0.82
XLogP3
1.1
Consensus LogP
0.95
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-3.89

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
1.5

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