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 |
412923-59-2 / 2-bromo-4-naphthalen-2-yl-1,3-thiazole
Basic Information
CAS
412923-59-2
Multi CAS
No
Molecular Formula
BC13H8RnS
Molecular Weight
290.180000
Exact Mass
288.956080
InChI
InChI=1S/C13H8BrNS/c14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
InChIKey
WHHZILMAFPFJHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
72.76
TPSA
12.89
LogP / Solubility
WLOGP
4.73
MLOGP
4.17
XLogP3
4.9
Consensus LogP
4.6
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
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2-BROMO-4-[4-(1,1-DIMETHYLETHYL)PHENYL]THIAZOLE
- CAS RN: 412923-63-8
- Product Code: SSC-149748
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![CAS 412923-63-8 2-BROMO-4-[4-(1,1-DIMETHYLETHYL)PHENYL]THIAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/412923-63-8.gif)
