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CAS 351498-19-6 (T-4)-[[2,2′-[(1R,2R)-1,2-Cyclohexanediylbis[(nitrilo-κN)methylidyne]]bis[4,6-bis(1,1-dimethylethyl)phenolato-κO]](2-)]zinc molecular structure lightbox
CAS RN: 351498-19-6

(T-4)-[[2,2′-[(1R,2R)-1,2-Cyclohexanediylbis[(nitrilo-κN)methylidyne]]bis[4,6-bis(1,1-dimethylethyl)phenolato-κO]](2-)]zinc

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6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251022 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20260616 100mg / 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
Batchno.20260224 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250223 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260514 25g Out of stock Inquiry
Batchno.20251011 5g In stock Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS351498-19-6
  • Purity/Analytical Methods: >99.0%
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351498-19-6 / zinc 2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate

Standard CAS: 351498-19-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
351498-19-6
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-;/m1./s1
InChIKey
KMUJCMSUODEDEM-GAQUOPITSA-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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