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CAS 1263166-93-3 N-(1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-ylmethyloxycarbonyl-1,8-diamino-3,6-dioxaoctane molecular structure lightbox
CAS RN: 1263166-93-3

N-(1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-ylmethyloxycarbonyl-1,8-diamino-3,6-dioxaoctane

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250717 25mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250728 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20251008 1g In stock Shanghai Inquiry
Batchno.20250807 250mg In stock Shanghai Inquiry
Batchno.20250708 25mg In stock Shanghai Inquiry
Batchno.20260305 50mg In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-033347
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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
  • 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 1263166-93-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Beijing Inquiry

1263166-93-3 / [(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate

Standard CAS: 1263166-93-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1263166-93-3
Multi CAS
No
Molecular Formula
C17H28N2O4
Molecular Weight
324.400000
Exact Mass
324.204907
SMILES
C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCN)CCC#C1
InChI
InChI=1S/C17H28N2O4/c18-7-9-21-11-12-22-10-8-19-17(20)23-13-16-14-5-3-1-2-4-6-15(14)16/h14-16H,3-13,18H2,(H,19,20)/t14-,15+,16?
InChIKey
YZGOWXGENSKDSE-XYPWUTKMSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.82
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
2
Molar refractivity
86.76
TPSA
82.81

LogP / Solubility

WLOGP
1.14
MLOGP
1.02
XLogP3
1.1
Consensus LogP
1.09
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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