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CAS 28814-72-4 S-3,6-bis(2-hydroxyethyl)piperazine-2,5-dione molecular structure lightbox
CAS RN: 28814-72-4

S-3,6-bis(2-hydroxyethyl)piperazine-2,5-dione

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260611 1g In stock Shanghai, Shandong Inquiry
Batchno.20251222 200mg Out of stock 5-7 business days Inquiry
Batchno.20260515 5g In stock Shandong Inquiry
  • Product code: SSC-130548
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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 28814-72-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

28814-72-4 / 3,6-bis(2-hydroxyethyl)piperazine-2,5-dione

Standard CAS: 28814-72-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28814-72-4
Multi CAS
Yes
Molecular Formula
C8H14N2O4
Molecular Weight
202.210000
Exact Mass
202.095357
InChI
InChI=1S/C8H14N2O4/c11-3-1-5-7(13)10-6(2-4-12)8(14)9-5/h5-6,11-12H,1-4H2,(H,9,14)(H,10,13)/t5-,6-/m0/s1
InChIKey
YCISBBFTTVKSNK-WDSKDSINSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
47.27
TPSA
98.66

LogP / Solubility

WLOGP
-2.27
MLOGP
-1.99
XLogP3
-1.9
Consensus LogP
-2.05
Log S (ESOL)
0.6
Class (ESOL)
Highly soluble
Log S (Ali)
0.42
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.43
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-5.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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