[email protected]
CAS 1006711-90-5 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[2-[[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]amino]-2-oxoethyl]- molecular structure lightbox
CAS RN: 1006711-90-5

1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[2-[[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]amino]-2-oxoethyl]-

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250321 25mg / 50mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-001344
GET A QUOTE
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: 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1006711-90-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry

1006711-90-5 / 2-[4,7-bis(carboxymethyl)-10-[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

DOTA-maleimido | Matraxetan | Maleimide-monoamide-DOTA

Standard CAS: 1006711-90-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1006711-90-5
Multi CAS
Yes
Molecular Formula
C22H34N6O9
Molecular Weight
526.500000
Exact Mass
526.238727
SMILES
C1CN(CCN(CCN(CCN1CC(=O)NCCN2C(=O)C=CC2=O)CC(=O)O)CC(=O)O)CC(=O)O
InChI
InChI=1S/C22H34N6O9/c29-17(23-3-4-28-18(30)1-2-19(28)31)13-24-5-7-25(14-20(32)33)9-11-27(16-22(36)37)12-10-26(8-6-24)15-21(34)35/h1-2H,3-16H2,(H,23,29)(H,32,33)(H,34,35)(H,36,37)
InChIKey
AUTDIWAXETZSGJ-UHFFFAOYSA-N
Synonyms
DOTA-maleimido Matraxetan Maleimide-monoamide-DOTA NVM7E8Z3VU 1,4,7,10-tetraazacyclododecane-1,4,7-trisacetic acid-10-maleimidoethylacetamide

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.64
Rotatable bonds
11
H-bond acceptors
10
H-bond donors
4
Molar refractivity
127.54
TPSA
191.34

LogP / Solubility

WLOGP
-3.5
MLOGP
-3.04
XLogP3
-9.3
Consensus LogP
-5.28
Log S (ESOL)
-0.18
Class (ESOL)
Very soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.41

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us