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CAS 16691-00-2 CYCLO(-GLU-GLU) molecular structure lightbox
CAS RN: 16691-00-2

CYCLO(-GLU-GLU)

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260608 10mg Out of stock Inquiry
Batchno.20260227 250mg In stock Inquiry
Batchno.20260115 50mg In stock Inquiry
  • Product code: SSC-072823
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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: 0.25g
  • 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 16691-00-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

16691-00-2 / 3-[(2S,5S)-5-(2-carboxyethyl)-3,6-dioxopiperazin-2-yl]propanoic acid

Standard CAS: 16691-00-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16691-00-2
Multi CAS
No
Molecular Formula
C10H14N2O6
Molecular Weight
258.230000
Exact Mass
258.085186
SMILES
C(CC(=O)O)[C@H]1C(=O)N[C@H](C(=O)N1)CCC(=O)O
InChI
InChI=1S/C10H14N2O6/c13-7(14)3-1-5-9(17)12-6(10(18)11-5)2-4-8(15)16/h5-6H,1-4H2,(H,11,18)(H,12,17)(H,13,14)(H,15,16)/t5-,6-/m0/s1
InChIKey
NDCKGUDRHBPJAQ-WDSKDSINSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.6
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
57.6
TPSA
132.8

LogP / Solubility

WLOGP
-1.3
MLOGP
-1.14
XLogP3
-1.5
Consensus LogP
-1.31
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.98
Class (SILICOS-IT)
Very 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)
-5.22

Drug-likeness / Medicinal Chemistry

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

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