[email protected]
CAS 259259-80-8 (1S,2S)-N,N’-Bis(2-acetyl-3-oxo-2-butenylidene)-1,2-dimesitylethylenediaminato Cobalt(II) molecular structure lightbox
CAS RN: 259259-80-8

(1S,2S)-N,N’-Bis(2-acetyl-3-oxo-2-butenylidene)-1,2-dimesitylethylenediaminato Cobalt(II)

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260606 100mg In stock Shanghai Inquiry
Batchno.20251225 1g Out of stock Inquiry
Batchno.20250801 250mg In stock Shanghai Inquiry
Batchno.20250403 50mg In stock Shanghai Inquiry
  • Product code: SSC-122637
GET A QUOTE
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: 0.25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 259259-80-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

259259-80-8 / (E)-3-[[(1S,2S)-2-[[(E)-2-acetyl-3-oxidobut-2-enylidene]amino]-1,2-bis(2,4,6-trimethylphenyl)ethyl]iminomethyl]-4-oxopent-2-en-2-olate;cobalt(2+)

Standard CAS: 259259-80-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
259259-80-8
Multi CAS
No
Molecular Formula
C32H38CoN2O4
Molecular Weight
573.600000
Exact Mass
573.216351
SMILES
CC1=CC(=C(C(=C1)C)[C@H](N=C/C(=C(\[O-])/C)/C(=O)C)[C@@H](N=C/C(=C(\[O-])/C)/C(=O)C)C2=C(C=C(C=C2C)C)C)C.[Co+2]
InChI
InChI=1S/C32H40N2O4.Co/c1-17-11-19(3)29(20(4)12-17)31(33-15-27(23(7)35)24(8)36)32(34-16-28(25(9)37)26(10)38)30-21(5)13-18(2)14-22(30)6;/h11-16,31-32,35,37H,1-10H3;/q;+2/p-2/b27-23+,28-25+,33-15?,34-16?;/t31-,32-;/m0./s1
InChIKey
PHCQQLMRNZRDJA-VURWZECESA-L

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
9
H-bond acceptors
6
Molar refractivity
150.53
TPSA
104.98

LogP / Solubility

WLOGP
4.91
MLOGP
4.36
XLogP3
4.91
Consensus LogP
4.73
Log S (ESOL)
-6.12
Class (ESOL)
Insoluble
Log S (Ali)
-7.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.54
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.74

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
5

Customers Also Viewed

Get In Touch

Contact Us