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CAS 122555-91-3 TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA molecular structure lightbox
CAS RN: 122555-91-3

TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260401 200mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250407 100g In stock Shanghai, Tianjin Inquiry
Batchno.20250121 10g In stock Shanghai, Tianjin Inquiry
Batchno.20251224 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250219 1g / 5g / 25g / 100g Out of stock 5-7 business days Inquiry
Batchno.20260524 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250914 500g In stock Shanghai Inquiry
Batchno.20251213 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-025540
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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: 5g, 10g, 25g, 1g, 100g
  • Available purity: >98%
  • 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 122555-91-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 5 In Stock Shenzhen Inquiry
10g >98% 5 In Stock Hong Kong Inquiry
25g >98% 5 In Stock Shanghai Inquiry
1g >98% 4 In Stock Shanghai Inquiry
100g >98% 3 In Stock Beijing Inquiry

122555-91-3 / tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate

Standard CAS: 122555-91-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
122555-91-3
Multi CAS
No
Molecular Formula
C26H50N4O6
Molecular Weight
514.700000
Exact Mass
514.373035
SMILES
CC(C)(C)OC(=O)CN1CCNCCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
InChI
InChI=1S/C26H50N4O6/c1-24(2,3)34-21(31)18-28-12-10-27-11-13-29(19-22(32)35-25(4,5)6)15-17-30(16-14-28)20-23(33)36-26(7,8)9/h27H,10-20H2,1-9H3
InChIKey
NMHVTLJFPDOJOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
1
Molar refractivity
139.72
TPSA
100.65

LogP / Solubility

WLOGP
1.52
MLOGP
1.38
XLogP3
2.4
Consensus LogP
1.77
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly 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)
-4.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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 (97.7%): 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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