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CAS 872103-28-1 1-(p-Toluenesulfonyl)hoMopiperazine molecular structure lightbox
CAS RN: 872103-28-1

1-(p-Toluenesulfonyl)hoMopiperazine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250531 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS872103-28-1
  • Purity/Analytical Methods: >99.0%
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872103-28-1 / 1-(4-methylphenyl)sulfonyl-1,4-diazepane

Standard CAS: 872103-28-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
872103-28-1
Multi CAS
Yes
Molecular Formula
C12H18N2O2S
Molecular Weight
254.350000
Exact Mass
254.108899
InChI
InChI=1S/C12H18N2O2S/c1-11-3-5-12(6-4-11)17(15,16)14-9-2-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3
InChIKey
LBZDXFSGDLAAAZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.42
TPSA
49.41

LogP / Solubility

WLOGP
0.98
MLOGP
0.87
XLogP3
1.1
Consensus LogP
0.98
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-3.58

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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