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CAS 183591-72-2 3-CARBOXYMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 183591-72-2

3-CARBOXYMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260522 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-084923
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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: ＞97%
  • 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 183591-72-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

183591-72-2 / 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]acetic acid

Standard CAS: 183591-72-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183591-72-2
Multi CAS
No
Molecular Formula
C11H20N2O4
Molecular Weight
244.290000
Exact Mass
244.142307
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)CC(=O)O
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-5-4-12-8(7-13)6-9(14)15/h8,12H,4-7H2,1-3H3,(H,14,15)
InChIKey
JTCVUIFTKFUZNA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.85
TPSA
78.87

LogP / Solubility

WLOGP
0.67
MLOGP
0.59
XLogP3
-2.3
Consensus LogP
-0.35
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-3.73

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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