![CAS 38951-97-2 Bis[4,4′-dimethoxy(dithiobenzil)]nickel(II) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b4360-jpgcontextbwfzdgvyfhjvb3r8mzuzndb8aw1hz2uvanblz3xoyzqvadyzlzg5mjkwndy4odg0nzgvqjqznjauanbnfgqxmtvkyzm0nddiy2y0zwiymjdmzdnjytk5ntu3y2vmzgq1mdrindnizthhmdrmy2e3ntgzyjc5mwyzngvmywi.jpeg)
CAS RN: 38951-97-2
Bis[4,4′-dimethoxy(dithiobenzil)]nickel(II)
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-146557
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: 1g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
38951-97-2 / bis(1,2-bis(4-methoxyphenyl)ethene-1,2-dithiolate);nickel
Basic Information
CAS
38951-97-2
Multi CAS
Yes
Molecular Formula
C32H28NIO4S4-4
Molecular Weight
663.500000
Exact Mass
662.022386
InChI
InChI=1S/2C16H16O2S2.Ni/c2*1-17-13-7-3-11(4-8-13)15(19)16(20)12-5-9-14(18-2)10-6-12;/h2*3-10,19-20H,1-2H3;/p-4
InChIKey
ADHFORVSZXGTQQ-UHFFFAOYSA-J
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
24
Fraction Csp3
0.12
Rotatable bonds
8
H-bond acceptors
8
Molar refractivity
175.06
TPSA
36.92
LogP / Solubility
WLOGP
7.24
MLOGP
6.43
XLogP3
7.24
Consensus LogP
6.97
Log S (ESOL)
-8.42
Class (ESOL)
Insoluble
Log S (Ali)
-10.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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