CAS RN: 819869-77-7
DOTA-mono-NHS tris(t-Bu ester)
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250709 | 100g | Out of stock | Inquiry | |
| Batchno.20250121 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250621 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260505 | 1g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20260517 | 250mg | In stock | Shanghai, Shenzhen, Wuhan | Inquiry |
| Batchno.20250911 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250301 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251128 | 5g | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: SSC-190238
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: 0.1g, 0.25g, 1g, 5g, 10g, 25g, 100g
- Available purity: >95%
- Inventory rows with stock: 7
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 5 In Stock | Shanghai | Inquiry |
| 1g | >95% | 5 In Stock | Shanghai | Inquiry |
| 5g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 5 In Stock | Shanghai | Inquiry |
| 100g | >95% | 5 In Stock | Hong Kong | Inquiry |
819869-77-7 / tert-butyl 2-[7-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-4,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
Basic Information
CAS
819869-77-7
Multi CAS
No
Molecular Formula
C32H55N5O10
Molecular Weight
669.800000
Exact Mass
669.394893
InChI
InChI=1S/C32H55N5O10/c1-30(2,3)44-26(40)20-33-12-14-34(21-27(41)45-31(4,5)6)16-18-36(23-29(43)47-37-24(38)10-11-25(37)39)19-17-35(15-13-33)22-28(42)46-32(7,8)9/h10-23H2,1-9H3
InChIKey
XIICJKXKEDCZEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Fraction Csp3
0.81
Rotatable bonds
9
H-bond acceptors
14
Molar refractivity
170.47
TPSA
155.54
LogP / Solubility
WLOGP
0.84
MLOGP
0.8
XLogP3
1.9
Consensus LogP
1.18
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.21
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
5.5
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