CAS RN: 2254430-88-9
Dichloro(3,4,7,8-tetramethyl-1,10-phenanthroline-κN1,κN10)-Nickel
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-110275
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
2254430-88-9 / dichloronickel;3,4,7,8-tetramethyl-1,10-phenanthroline
Basic Information
CAS
2254430-88-9
Multi CAS
No
Molecular Formula
C16H16Cl2N2Ni
Molecular Weight
365.900000
Exact Mass
364.004396
SMILES
CC1=CN=C2C(=C1C)C=CC3=C(C(=CN=C32)C)C.Cl[Ni]Cl
InChI
InChI=1S/C16H16N2.2ClH.Ni/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15;;;/h5-8H,1-4H3;2*1H;/q;;;+2/p-2
InChIKey
MRPUJRCLWLQURL-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
14
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
87.7
TPSA
25.78
LogP / Solubility
WLOGP
5.39
MLOGP
4.77
XLogP3
5.39
Consensus LogP
5.18
Log S (ESOL)
-6
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.51
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 2254447-02-2 benzo[d][1,3]dioxole-5-carbonyl fluoride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
benzo[d][1,3]dioxole-5-carbonyl fluoride
- CAS RN: 2254447-02-2
- Product Code: starshine_CAS2254447-02-2
- Purity/Analytical method: >99.0%
-
-
8H-1,2,4-Triazolo[3,4-c][1,4]oxazinium, 5,6-dihydro-5-(1-methylethyl)-2-(2,3,4,5,6-pentafluorophenyl)-, (5R)-, tetrafluoroborate(1-) (1:1)
- CAS RN: 2254501-59-0
- Product Code: starshine_CAS2254501-59-0
- Purity/Analytical method: >99.0%
-
6-Bromo-2-hydroxy-1H-quinolin-4-one
- CAS RN: 2254506-51-7
- Product Code: starshine_CAS2254506-51-7
- Purity/Analytical method: >99.0%
-
2-(2-Chloro-5-nitrophenyl)pyridine hydrochloride
- CAS RN: 2254573-75-4
- Product Code: starshine_CAS2254573-75-4
- Purity/Analytical method: >99.0%
-
1H-Pyrrolo[3,2-c]pyridin-3-amine hydrochloride
- CAS RN: 2254578-11-3
- Product Code: starshine_CAS2254578-11-3
- Purity/Analytical method: >99.0%
![CAS 2254447-02-2 benzo[d][1,3]dioxole-5-carbonyl fluoride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2254447-02-2.gif)
![CAS 2254501-59-0 8H-1,2,4-Triazolo[3,4-c][1,4]oxazinium, 5,6-dihydro-5-(1-methylethyl)-2-(2,3,4,5,6-pentafluorophenyl)-, (5R)-, tetrafluoroborate(1-) (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2254501-59-0.gif)
![CAS 2254578-11-3 1H-Pyrrolo[3,2-c]pyridin-3-amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2254578-11-3.gif)