[email protected]
CAS 1197193-08-0 N-(3-Methylsulphonyl-4-nitrophenyl)piperazine molecular structure lightbox
CAS RN: 1197193-08-0

N-(3-Methylsulphonyl-4-nitrophenyl)piperazine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260503 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-020415
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1197193-08-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry

1197193-08-0 / 1-(3-methylsulfonyl-4-nitrophenyl)piperazine

N-(3-Methylsulphonyl-4-nitrophenyl)piperazine | 1-(3-methylsulfonyl-4-nitrophenyl)piperazine | MFCD13191589

Standard CAS: 1197193-08-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1197193-08-0
Multi CAS
No
Molecular Formula
C11H15N3O4S
Molecular Weight
285.320000
Exact Mass
285.078327
SMILES
CS(=O)(=O)C1=C(C=CC(=C1)N2CCNCC2)[N+](=O)[O-]
InChI
InChI=1S/C11H15N3O4S/c1-19(17,18)11-8-9(2-3-10(11)14(15)16)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3
InChIKey
FHEOTKKERXQVSW-UHFFFAOYSA-N
Synonyms
N-(3-Methylsulphonyl-4-nitrophenyl)piperazine 1-(3-methylsulfonyl-4-nitrophenyl)piperazine MFCD13191589 Piperazine, 1-[3-(methylsulfonyl)-4-nitrophenyl]- 1-(3-METHANESULFONYL-4-NITROPHENYL)PIPERAZINE

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
71.29
TPSA
92.55

LogP / Solubility

WLOGP
0.41
MLOGP
0.37
XLogP3
0.5
Consensus LogP
0.43
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-4.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us