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CAS 157472-96-3 1,1,2,2 – tetraMethyl – 1,2 – ethanediaMino – N,N’ – bis(3,5 – di – tert – butylsalicylidene) – cobalt(II) molecular structure lightbox
CAS RN: 157472-96-3

1,1,2,2 – tetraMethyl – 1,2 – ethanediaMino – N,N’ – bis(3,5 – di – tert – butylsalicylidene) – cobalt(II)

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250914 100mg / 250mg / 1g Confirm by inquiry Shanghai, Hebei Inquiry
Batchno.20260202 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250319 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250515 5g In stock Shanghai Inquiry
  • Product code: SSC-066425
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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
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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 157472-96-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

157472-96-3 / cobalt(2+);2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]phenolate

Standard CAS: 157472-96-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
157472-96-3
Multi CAS
No
Molecular Formula
C36H54CoN2O2
Molecular Weight
605.800000
Exact Mass
605.351722
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[O-])C=NC(C)(C)C(C)(C)N=CC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)[O-].[Co+2]
InChI
InChI=1S/C36H56N2O2.Co/c1-31(2,3)25-17-23(29(39)27(19-25)33(7,8)9)21-37-35(13,14)36(15,16)38-22-24-18-26(32(4,5)6)20-28(30(24)40)34(10,11)12;/h17-22,39-40H,1-16H3;/q;+2/p-2
InChIKey
VIVKUKSPHDRNLI-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
12
Fraction Csp3
0.61
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
169.92
TPSA
70.84

LogP / Solubility

WLOGP
8.12
MLOGP
7.19
XLogP3
8.12
Consensus LogP
7.81
Log S (ESOL)
-8.6
Class (ESOL)
Insoluble
Log S (Ali)
-10.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.93
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.65

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

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