CAS RN: 172924-51-5
(R)-2-{o-{(N-benzylprolyl)aMino}phenyl}-benzylideneaMino-acetato(2-)-N,N’,N”-nickel(II)
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251113 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250515 | 100g | In stock | Shanghai | Inquiry | |
| Batchno.20260208 | 1g | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20250131 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250112 | 25g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20260414 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: SSC-075980
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, 5g, 1g, 25g, 100g
- Available purity: >98%
- Inventory rows with stock: 12
- 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 | -- | 5 In Stock | Beijing | Inquiry |
| 0.1g | >98% | 5 In Stock | Beijing | Inquiry |
| 0.25g | -- | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >98% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | >98% | 3 In Stock | Shenzhen | Inquiry |
| 25g | -- | 3 In Stock | Shanghai | Inquiry |
| 25g | >98% | 3 In Stock | Shanghai | Inquiry |
| 1g | -- | 2 In Stock | Hong Kong | Inquiry |
| 5g | >98% | 2 In Stock | Shanghai | Inquiry |
| 100g | -- | 2 In Stock | Shanghai | Inquiry |
| 100g | >98% | 2 In Stock | Hong Kong | Inquiry |
172924-51-5 / (1-benzylpyrrolidine-2-carbonyl)-[2-[N-(carboxymethyl)-C-phenylcarbonimidoyl]phenyl]azanide;nickel
Basic Information
CAS
172924-51-5
Multi CAS
No
Molecular Formula
C27H26N3NiO3-
Molecular Weight
499.200000
Exact Mass
498.132758
SMILES
C1CC(N(C1)CC2=CC=CC=C2)C(=O)[N-]C3=CC=CC=C3C(=NCC(=O)O)C4=CC=CC=C4.[Ni]
InChI
InChI=1S/C27H27N3O3.Ni/c31-25(32)18-28-26(21-12-5-2-6-13-21)22-14-7-8-15-23(22)29-27(33)24-16-9-17-30(24)19-20-10-3-1-4-11-20;/h1-8,10-15,24H,9,16-19H2,(H2,28,29,31,32,33);/p-1
InChIKey
DRZQCPMTUIIOMU-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
128.93
TPSA
84.07
LogP / Solubility
WLOGP
4.8
MLOGP
4.26
XLogP3
4.8
Consensus LogP
4.62
Log S (ESOL)
-5.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.85
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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