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CAS 1033713-11-9 (S)-1-(tert-Butoxycarbonyl)-5-oxopiperazine-2-carboxylic acid molecular structure lightbox
CAS RN: 1033713-11-9

(S)-1-(tert-Butoxycarbonyl)-5-oxopiperazine-2-carboxylic acid

Product Availability

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260620 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251002 100mg Out of stock Inquiry
Batchno.20260303 1g Out of stock Inquiry
Batchno.20260428 250mg Out of stock Inquiry
  • Product code: SSC-004856
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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 1033713-11-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1033713-11-9 / (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid

(R)-1-(tert-Butoxycarbonyl)-5-oxopiperazine-2-carboxylic acid | (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid | MFCD10698232

Standard CAS: 1033713-11-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1033713-11-9
Multi CAS
Yes
Molecular Formula
C10H16N2O5
Molecular Weight
244.240000
Exact Mass
244.105922
SMILES
CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)O
InChI
InChI=1S/C10H16N2O5/c1-10(2,3)17-9(16)12-5-7(13)11-4-6(12)8(14)15/h6H,4-5H2,1-3H3,(H,11,13)(H,14,15)/t6-/m0/s1
InChIKey
PYQDNNRESXVUND-LURJTMIESA-N
Synonyms
(R)-1-(tert-Butoxycarbonyl)-5-oxopiperazine-2-carboxylic acid (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid MFCD10698232 (2R)-1-(TERT-BUTOXYCARBONYL)-5-OXO-2-PIPERAZINECARBOXYLIC ACID DTXSID00659254

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
57.37
TPSA
95.94

LogP / Solubility

WLOGP
-0.19
MLOGP
-0.16
XLogP3
-0.1
Consensus LogP
-0.15
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
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)
-4.35

Drug-likeness / Medicinal Chemistry

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

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