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CAS 1895867-66-9 Piperazine, 2-methyl-1-(6-nitro-3-pyridinyl)-, (2S)- molecular structure lightbox
CAS RN: 1895867-66-9

Piperazine, 2-methyl-1-(6-nitro-3-pyridinyl)-, (2S)-

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251202 1g Out of stock 30 business days Inquiry
  • Product code: SSC-088719
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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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 1895867-66-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1895867-66-9 / (2S)-2-methyl-1-(6-nitro-3-pyridinyl)piperazine

Standard CAS: 1895867-66-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1895867-66-9
Multi CAS
No
Molecular Formula
C10H14N4O2
Molecular Weight
222.240000
Exact Mass
222.111676
SMILES
C[C@H]1CNCCN1C2=CN=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H14N4O2/c1-8-6-11-4-5-13(8)9-2-3-10(12-7-9)14(15)16/h2-3,7-8,11H,4-6H2,1H3/t8-/m0/s1
InChIKey
IOARQPWDRKCMEL-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
60.57
TPSA
71.3

LogP / Solubility

WLOGP
0.79
MLOGP
0.7
XLogP3
0.9
Consensus LogP
0.8
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
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)
-3.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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