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CAS 306776-79-4 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, a-(2-carboxyethyl)-, 1,4,7,10-tetrakis(1,1-dimethylethyl) ester molecular structure lightbox
CAS RN: 306776-79-4

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, a-(2-carboxyethyl)-, 1,4,7,10-tetrakis(1,1-dimethylethyl) ester

Product Availability

Choose a grade to view its available package options.

8 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260609 100mg In stock Shanghai Inquiry
Batchno.20260531 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20250504 10g Out of stock Inquiry
Batchno.20260701 1g In stock Shanghai Inquiry
Batchno.20250324 250mg In stock Shanghai Inquiry
Batchno.20251216 25g Out of stock Inquiry
Batchno.20250729 50mg In stock Shanghai Inquiry
Batchno.20250119 5g Out of stock Inquiry
  • Product code: SSC-135530
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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: 0.25g, 5g, 25g, 1g, 0.1g, 10g
  • 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 306776-79-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Shanghai Inquiry
25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
10g >95% 0 Out of Stock Beijing Inquiry

306776-79-4 / 5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid

Standard CAS: 306776-79-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
306776-79-4
Multi CAS
Yes
Molecular Formula
C35H64N4O10
Molecular Weight
700.900000
Exact Mass
700.462244
InChI
InChI=1S/C35H64N4O10/c1-32(2,3)46-28(42)23-36-15-17-37(24-29(43)47-33(4,5)6)19-21-39(26(13-14-27(40)41)31(45)49-35(10,11)12)22-20-38(18-16-36)25-30(44)48-34(7,8)9/h26H,13-25H2,1-12H3,(H,40,41)
InChIKey
SUAUFMLRKFUOID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Fraction Csp3
0.86
Rotatable bonds
11
H-bond acceptors
13
H-bond donors
1
Molar refractivity
184.93
TPSA
155.46

LogP / Solubility

WLOGP
2.81
MLOGP
2.53
XLogP3
1.4
Consensus LogP
2.25
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.87
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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