![CAS 630404-46-5 Cobalt, chloro[[2,2′-[(1S,2S)-1,2-cyclohexanediylbis[(nitrilo-κN)Methylidyne]]bis[4,6-bis(1,1-diMethylethyl)phenolato-κO]](2-)]-, (SP-5-13)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/630404-46-5.gif)
CAS RN: 630404-46-5
Cobalt, chloro[[2,2′-[(1S,2S)-1,2-cyclohexanediylbis[(nitrilo-κN)Methylidyne]]bis[4,6-bis(1,1-diMethylethyl)phenolato-κO]](2-)]-, (SP-5-13)-
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-172552
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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
630404-46-5 / cobalt(3+);2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;chloride
Basic Information
CAS
630404-46-5
Multi CAS
No
Molecular Formula
C36H52CLCON2O2
Molecular Weight
639.200000
Exact Mass
638.304925
InChI
InChI=1S/C36H54N2O2.ClH.Co/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;1H;/q;;+3/p-3/t29-,30-;;/m0../s1
InChIKey
DIPYCKRNYQWVPM-ARDORAJISA-K
Computed Properties
Structural Parameters
Heavy atom count
42
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
4.87
MLOGP
4.34
XLogP3
4.87
Consensus LogP
4.69
Log S (ESOL)
-6.82
Class (ESOL)
Insoluble
Log S (Ali)
-8.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.34
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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![CAS 630421-45-3 Methyl (2S,4R)-1-[(S)-2-(Boc-amino)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/630421-45-3.gif)
