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CAS 1095010-43-7 N-(4-Methylsulphonyl-3-nitrophenyl)piperazine molecular structure lightbox
CAS RN: 1095010-43-7

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260517 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-010891
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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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 1095010-43-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Shanghai Inquiry
1g -- 1 In Stock Shenzhen Inquiry
0.1g -- 0 Out of Stock Shenzhen Inquiry
0.1g >97% 0 Out of Stock Shanghai Inquiry
0.25g -- 0 Out of Stock Beijing Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry
5g -- 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

1095010-43-7 / 1-(4-methylsulfonyl-3-nitrophenyl)piperazine

N-(4-METHYLSULPHONYL-3-NITROPHENYL)PIPERAZINE | 1-(4-methylsulfonyl-3-nitrophenyl)piperazine | MFCD10568172

Standard CAS: 1095010-43-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1095010-43-7
Multi CAS
Yes
Molecular Formula
C11H15N3O4S
Molecular Weight
285.320000
Exact Mass
285.078327
SMILES
CS(=O)(=O)C1=C(C=C(C=C1)N2CCNCC2)[N+](=O)[O-]
InChI
InChI=1S/C11H15N3O4S/c1-19(17,18)11-3-2-9(8-10(11)14(15)16)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3
InChIKey
PXJCLNPAGNIXTJ-UHFFFAOYSA-N
Synonyms
N-(4-METHYLSULPHONYL-3-NITROPHENYL)PIPERAZINE 1-(4-methylsulfonyl-3-nitrophenyl)piperazine MFCD10568172 1-(4-(Methylsulfonyl)-3-nitrophenyl)piperazine 1-[4-(methylsulfonyl)-3-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

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