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CAS 137076-54-1 Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate molecular structure lightbox
CAS RN: 137076-54-1

Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate

Product Availability

Choose a grade to view its available package options.

9 package records9 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251124 100g In stock Shanghai, Wuhan Inquiry
Batchno.20250224 100mg In stock Shanghai Inquiry
Batchno.20260409 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251011 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250209 1kg In stock Shanghai Inquiry
Batchno.20260425 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250525 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260322 500g In stock Shanghai Inquiry
Batchno.20250402 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-046616
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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: 1g, 5g, 10g, 25g, 100g, 0.25g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 7
  • 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 137076-54-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
100g >97% 5 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
500g >97% 1 In Stock Hong Kong Inquiry

137076-54-1 / 2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

Standard CAS: 137076-54-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
137076-54-1
Multi CAS
No
Molecular Formula
C28H52N4O8
Molecular Weight
572.700000
Exact Mass
572.378515
SMILES
CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)O
InChI
InChI=1S/C28H52N4O8/c1-26(2,3)38-23(35)19-30-12-10-29(18-22(33)34)11-13-31(20-24(36)39-27(4,5)6)15-17-32(16-14-30)21-25(37)40-28(7,8)9/h10-21H2,1-9H3,(H,33,34)
InChIKey
RVUXZXMKYMSWOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Fraction Csp3
0.86
Rotatable bonds
8
H-bond acceptors
11
H-bond donors
1
Molar refractivity
150.93
TPSA
129.16

LogP / Solubility

WLOGP
1.32
MLOGP
1.2
XLogP3
0.2
Consensus LogP
0.91
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
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)
-5.28

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
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 (97.5%): 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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