![CAS 58280-31-2 Bis[2-(2-benzothiazolyl)phenolato]zinc(II) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b2077-jpgcontextbwfzdgvyfhjvb3r8nta2mtb8aw1hz2uvanblz3xozjivadm0lzg5mjg3njg0ote1ntavqjiwnzcuanbnfdzmntnhnzg1mtrkotqzymiyzjflztyxmmvmotnhogi0ztvlywfknmexnwuwyjg0yjywntdmnzq0y2i5mtkymdy.jpeg)
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
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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
58280-31-2 / zinc bis(2-(1,3-benzothiazol-2-yl)phenolate)
Basic Information
CAS
58280-31-2
Multi CAS
Yes
Molecular Formula
C26H16N2O2S2Zn
Molecular Weight
517.900000
Exact Mass
515.994462
InChI
InChI=1S/2C13H9NOS.Zn/c2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h2*1-8,15H;/q;;+2/p-2
InChIKey
CJGUQZGGEUNPFQ-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
30
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
129
TPSA
71.9
LogP / Solubility
WLOGP
6.07
MLOGP
5.38
XLogP3
6.07
Consensus LogP
5.84
Log S (ESOL)
-7.42
Class (ESOL)
Insoluble
Log S (Ali)
-8.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.31
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.57
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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