![CAS 556053-31-7 (T-4)-[[2,2′-[(1S,2S)-1,2-Cyclohexanediylbis[(nitrilo-κN)methylidyne]]bis[4,6-bis(1,1-dimethylethyl)phenolato-κO]](2-)]zinc molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/556053-31-7.gif)
CAS RN: 556053-31-7
(T-4)-[[2,2′-[(1S,2S)-1,2-Cyclohexanediylbis[(nitrilo-κN)methylidyne]]bis[4,6-bis(1,1-dimethylethyl)phenolato-κO]](2-)]zinc
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260116 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251120 | 100mg / 250mg / 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260311 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250514 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250630 | 25g | Out of stock | Inquiry | ||
| Batchno.20260422 | 5g | In stock | Tianjin, Wuhan | Inquiry |
- Product code: starshine_CAS556053-31-7
- Purity/Analytical Methods: >99.0%
556053-31-7 / zinc 2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate
Basic Information
CAS
556053-31-7
Multi CAS
Yes
Molecular Formula
C36H52N2O2Zn
Molecular Weight
610.200000
Exact Mass
608.332021
InChI
InChI=1S/C36H54N2O2.Zn/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;/h17-22,29-30,39-40H,13-16H2,1-12H3;/q;+2/p-2/t29-,30-;/m0./s1
InChIKey
KMUJCMSUODEDEM-PNHSAAKESA-L
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
12
Fraction Csp3
0.61
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
167.81
TPSA
70.84
LogP / Solubility
WLOGP
7.87
MLOGP
6.98
XLogP3
7.87
Consensus LogP
7.57
Log S (ESOL)
-8.53
Class (ESOL)
Insoluble
Log S (Ali)
-10.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.64
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)
-0.85
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
5
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