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 | Beijing | Inquiry |
412923-61-6 / 2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole
Basic Information
CAS
412923-61-6
Multi CAS
No
Molecular Formula
C9H4BRCL2NS
Molecular Weight
309.010000
Exact Mass
306.862490
InChI
InChI=1S/C9H4BrCl2NS/c10-9-13-8(4-14-9)6-2-1-5(11)3-7(6)12/h1-4H
InChIKey
KNHMYZDCHQCQAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
65.27
TPSA
12.89
LogP / Solubility
WLOGP
4.88
MLOGP
4.31
XLogP3
4.9
Consensus LogP
4.7
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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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)
