[email protected]
CAS 1095010-42-6 N-(5-Methylsulphonyl-2-nitrophenyl)piperazine molecular structure lightbox
CAS RN: 1095010-42-6

N-(5-Methylsulphonyl-2-nitrophenyl)piperazine

  • Product code: SSC-010890
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1095010-42-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

1095010-42-6 / 1-(5-methylsulfonyl-2-nitrophenyl)piperazine

N-(5-Methylsulphonyl-2-nitrophenyl)piperazine | 1-(5-methylsulfonyl-2-nitrophenyl)piperazine | 1-(5-(Methylsulfonyl)-2-nitrophenyl)piperazine

Standard CAS: 1095010-42-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1095010-42-6
Multi CAS
No
Molecular Formula
C11H15N3O4S
Molecular Weight
285.320000
Exact Mass
285.078327
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)[N+](=O)[O-])N2CCNCC2
InChI
InChI=1S/C11H15N3O4S/c1-19(17,18)9-2-3-10(14(15)16)11(8-9)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3
InChIKey
RJWBXEQMPGFCND-UHFFFAOYSA-N
Synonyms
N-(5-Methylsulphonyl-2-nitrophenyl)piperazine 1-(5-methylsulfonyl-2-nitrophenyl)piperazine 1-(5-(Methylsulfonyl)-2-nitrophenyl)piperazine MFCD10565655 1-[5-(methylsulfonyl)-2-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