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CAS 1191901-33-3 TCO-carbonate molecular structure lightbox
CAS RN: 1191901-33-3

TCO-carbonate

Product Availability

Choose a grade to view its available package options.

11 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250523 100mg Out of stock Inquiry
Batchno.20260326 1mg In stock Inquiry
Batchno.20250531 25mg Out of stock Inquiry
Batchno.20251218 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251001 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251011 10mg In stock Shanghai Inquiry
Batchno.20250124 1g In stock Shanghai Inquiry
Batchno.20250611 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260615 25mg In stock Shanghai Inquiry
Batchno.20260321 50mg In stock Shanghai Inquiry
Batchno.20260207 5g In stock Shanghai Inquiry
  • Product code: SSC-019653
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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: 0.1g, 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 1191901-33-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry

1191901-33-3 / [(4E)-cyclooct-4-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate

2BX65M7XV6 | Cyclooct-4-enyl 2,5-dioxopyrrolidin-1-yl carbonate, (E)- | RefChem:1082649

Standard CAS: 1191901-33-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1191901-33-3
Multi CAS
Yes
Molecular Formula
C13H17NO5
Molecular Weight
267.280000
Exact Mass
267.110673
SMILES
C1C/C=C/CCC(C1)OC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C13H17NO5/c15-11-8-9-12(16)14(11)19-13(17)18-10-6-4-2-1-3-5-7-10/h1-2,10H,3-9H2/b2-1+
InChIKey
OUGQJOKGFAIFAQ-OWOJBTEDSA-N
Synonyms
2BX65M7XV6 Cyclooct-4-enyl 2,5-dioxopyrrolidin-1-yl carbonate, (E)- RefChem:1082649 TCO-NHS ester (E)-Cyclooct-4-en-1-yl (2,5-dioxopyrrolidin-1-yl) carbonate

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
64.67
TPSA
72.91

LogP / Solubility

WLOGP
2.09
MLOGP
1.85
XLogP3
1.9
Consensus LogP
1.95
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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