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CAS 170908-81-3 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester molecular structure lightbox
CAS RN: 170908-81-3

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester

Product Availability

Choose a grade to view its available package options.

11 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260518 25mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260302 100g In stock Shanghai Inquiry
Batchno.20250316 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260605 10g In stock Shanghai Inquiry
Batchno.20260603 10mg / 50mg / 100mg / 250mg Confirm by inquiry Shanghai, Shandong 15 business days Inquiry
Batchno.20260327 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250311 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260410 25g In stock Shanghai Inquiry
Batchno.20260626 500g Out of stock Inquiry
Batchno.20251114 50mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260112 5g In stock Shanghai Inquiry
  • Product code: SSC-075290
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 170908-81-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

170908-81-3 / 2-[4,10-bis(carboxymethyl)-7-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

Standard CAS: 170908-81-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
170908-81-3
Multi CAS
No
Molecular Formula
C20H31N5O10
Molecular Weight
501.500000
Exact Mass
501.207092
SMILES
C1CC(=O)N(C1=O)OC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O
InChI
InChI=1S/C20H31N5O10/c26-15-1-2-16(27)25(15)35-20(34)14-24-9-7-22(12-18(30)31)5-3-21(11-17(28)29)4-6-23(8-10-24)13-19(32)33/h1-14H2,(H,28,29)(H,30,31)(H,32,33)
InChIKey
XSVWFLQICKPQAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.7
Rotatable bonds
9
H-bond acceptors
11
H-bond donors
3
Molar refractivity
115.85
TPSA
188.54

LogP / Solubility

WLOGP
-2.93
MLOGP
-2.54
XLogP3
-8.9
Consensus LogP
-4.79
Log S (ESOL)
-0.51
Class (ESOL)
Very soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-7.86

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
4

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