![CAS 171200-71-8 (1S,2S)-N,N’-Bis[3-oxo-2-(2,4,6-trimethylbenzoyl)butylidene]-1,2-diphenylethylenediaminato Cobalt(II) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b1845-jpgcontextbwfzdgvyfhjvb3r8ndaymdr8aw1hz2uvanblz3xomtkvageylzg5mjg3ntm3ndu5ntavqje4nduuanbnfgnlodi1otgwmtezmdg3y2vmy2rlndvhyjk5zdzkywm3mjzkzjqxmgu5zjqymtezngvhmju5m2uzytm5mmzjntu.jpeg)
CAS RN: 171200-71-8
(1S,2S)-N,N’-Bis[3-oxo-2-(2,4,6-trimethylbenzoyl)butylidene]-1,2-diphenylethylenediaminato Cobalt(II)
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250621 | 5mg / 25mg / 100mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-075426
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
171200-71-8 / cobalt(2+);2-[[2-[[2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate
Basic Information
CAS
171200-71-8
Multi CAS
No
Molecular Formula
C42H42CoN2O4
Molecular Weight
697.700000
Exact Mass
697.247651
SMILES
CC1=CC(=C(C(=C1)C)C(=C(C=NC(C2=CC=CC=C2)C(C3=CC=CC=C3)N=CC(=C(C4=C(C=C(C=C4C)C)C)[O-])C(=O)C)C(=O)C)[O-])C.[Co+2]
InChI
InChI=1S/C42H44N2O4.Co/c1-25-19-27(3)37(28(4)20-25)41(47)35(31(7)45)23-43-39(33-15-11-9-12-16-33)40(34-17-13-10-14-18-34)44-24-36(32(8)46)42(48)38-29(5)21-26(2)22-30(38)6;/h9-24,39-40,47-48H,1-8H3;/q;+2/p-2
InChIKey
IVLZDUIPGQHPFO-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
49
Aromatic heavy atom count
24
Fraction Csp3
0.24
Rotatable bonds
11
H-bond acceptors
6
Molar refractivity
191.86
TPSA
104.98
LogP / Solubility
WLOGP
7.18
MLOGP
6.38
XLogP3
7.18
Consensus LogP
6.91
Log S (ESOL)
-8.33
Class (ESOL)
Insoluble
Log S (Ali)
-10.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.47
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.88
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
Safety & Transport
Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501
Customers Also Viewed
-
(1S,2S)-N,N’-Bis(2-acetyl-3-oxo-2-butenylidene)-1,2-dimesitylethylenediaminato Cobalt(II)
- CAS RN: 259259-80-8
- Product Code: SSC-122637
-
[1,1′-Bis(diphenylphosphino)ferrocene]cobalt(II) Dichloride
- CAS RN: 67292-36-8
- Product Code: ICTB3374
- Purity/Analytical method: >98.0%(T)
-
(1R,2R)-N,N’-Bis(2-acetyl-3-oxo-2-butenylidene)-1,2-dimesitylethylenediaminato Cobalt(II)
- CAS RN: 361346-80-7
- Product Code: SSC-143264
-
Ethylenediaminetetraacetic Acid Disodium Cobalt Salt
- CAS RN: 15137-09-4
- Product Code: ICTE0089
- Purity/Analytical method: >98.0%(T)
-
Bis(hexafluoroacetylacetonato)cobalt(II) Hydrate
- CAS RN: 19648-83-0
- Product Code: SSC-092760
-
![CAS 67292-36-8 [1,1′-Bis(diphenylphosphino)ferrocene]cobalt(II) Dichloride molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b3374-jpgcontextbwfzdgvyfhjvb3r8ndcwnzn8aw1hz2uvanblz3xoywuvadrjlzg5mjg5mjk1mtm1mdivqjmznzquanbnfdkxnzg5owjmngu0otnhowezztmwndvlzti2ndhmmgriytexzdc0mjc2mdy4otdjzmnmnjg2ytzlmzqyzjy0zjc.jpeg)
