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CAS 1616668-55-3 Tetrazine-NHS Ester molecular structure lightbox
CAS RN: 1616668-55-3

Tetrazine-NHS Ester

Product Availability

Choose a grade to view its available package options.

8 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260321 100mg Out of stock 30 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250107 100mg In stock Inquiry
Batchno.20260411 25mg In stock Inquiry
Batchno.20250728 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250518 100mg In stock Shanghai Inquiry
Batchno.20251121 1g In stock Shanghai Inquiry
Batchno.20250722 250mg In stock Shanghai Inquiry
Batchno.20250802 50mg In stock Shanghai Inquiry
  • Product code: SSC-069283
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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 1616668-55-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1616668-55-3 / (2,5-dioxopyrrolidin-1-yl) 2-[4-(1,2,4,5-tetrazin-3-yl)phenyl]acetate

Standard CAS: 1616668-55-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1616668-55-3
Multi CAS
No
Molecular Formula
C14H11N5O4
Molecular Weight
313.270000
Exact Mass
313.081104
SMILES
C1CC(=O)N(C1=O)OC(=O)CC2=CC=C(C=C2)C3=NN=CN=N3
InChI
InChI=1S/C14H11N5O4/c20-11-5-6-12(21)19(11)23-13(22)7-9-1-3-10(4-2-9)14-17-15-8-16-18-14/h1-4,8H,5-7H2
InChIKey
ORWDYVDDJMYIQA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
73.94
TPSA
115.24

LogP / Solubility

WLOGP
0.08
MLOGP
0.09
XLogP3
-0.8
Consensus LogP
-0.21
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately 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)
-4.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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