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CAS 13256-15-0 4-NITROSOPIPERAZINE-1-CARBOXYLIC*ACID ETHYL ESTER molecular structure lightbox
CAS RN: 13256-15-0

4-NITROSOPIPERAZINE-1-CARBOXYLIC*ACID ETHYL ESTER

  • Product code: SSC-039391
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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 13256-15-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

13256-15-0 / ethyl 4-nitrosopiperazine-1-carboxylate

Standard CAS: 13256-15-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13256-15-0
Multi CAS
No
Molecular Formula
C7H13N3O3
Molecular Weight
187.200000
Exact Mass
187.095691
SMILES
CCOC(=O)N1CCN(CC1)N=O
InChI
InChI=1S/C7H13N3O3/c1-2-13-7(11)9-3-5-10(8-12)6-4-9/h2-6H2,1H3
InChIKey
OYHRVILJSHWJAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
45.96
TPSA
62.21

LogP / Solubility

WLOGP
0.44
MLOGP
0.39
XLogP3
0.2
Consensus LogP
0.34
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-3.55

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501

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