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CAS 109384-26-1 Tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate molecular structure lightbox
CAS RN: 109384-26-1

Tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate

  • Product code: SSC-010657
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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: ≥98%
  • 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 109384-26-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

109384-26-1 / tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate

TERT-BUTYL 4-METHYL-3-OXOPIPERAZINE-1-CARBOXYLATE | MFCD10574956 | Tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate ,98per cent

Standard CAS: 109384-26-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
109384-26-1
Multi CAS
No
Molecular Formula
C10H18N2O3
Molecular Weight
214.260000
Exact Mass
214.131742
SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)C1)C
InChI
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-5-11(4)8(13)7-12/h5-7H2,1-4H3
InChIKey
SLWXQUHGEUNYSN-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 4-METHYL-3-OXOPIPERAZINE-1-CARBOXYLATE MFCD10574956 Tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate ,98per cent 1-tert-butoxycarbonyl-4-methyl-3-oxopiperazine SCHEMBL1968373

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
55.44
TPSA
49.85

LogP / Solubility

WLOGP
0.7
MLOGP
0.61
XLogP3
0.4
Consensus LogP
0.57
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-3.53

Drug-likeness / Medicinal Chemistry

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

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