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CAS 1255942-06-3 Dibenzocyclooctyne-amine molecular structure lightbox
CAS RN: 1255942-06-3

Dibenzocyclooctyne-amine

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250615 100mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260513 10g In stock Shanghai Inquiry
Batchno.20251120 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260529 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251024 25mg In stock Shanghai Inquiry
Batchno.20260305 50mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250606 5g In stock Shanghai Inquiry
  • Product code: SSC-030353
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1255942-06-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >95% 5 In Stock Beijing Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
1g >95% 2 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry

1255942-06-3 / 3-amino-1-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)propan-1-one

Standard CAS: 1255942-06-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1255942-06-3
Multi CAS
No
Molecular Formula
C18H16N2O
Molecular Weight
276.300000
Exact Mass
276.126263
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCN
InChI
InChI=1S/C18H16N2O/c19-12-11-18(21)20-13-16-7-2-1-5-14(16)9-10-15-6-3-4-8-17(15)20/h1-8H,11-13,19H2
InChIKey
OCCYFTDHSHTFER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.73
TPSA
46.33

LogP / Solubility

WLOGP
2.28
MLOGP
2.02
XLogP3
1.9
Consensus LogP
2.07
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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