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 | Shenzhen | Inquiry |
412923-55-8 / 2-bromo-4-(2-methoxyphenyl)-1,3-thiazole
Basic Information
CAS
412923-55-8
Multi CAS
No
Molecular Formula
BC10H8ORnS
Molecular Weight
270.150000
Exact Mass
268.951000
InChI
InChI=1S/C10H8BrNOS/c1-13-9-5-3-2-4-7(9)8-6-14-10(11)12-8/h2-6H,1H3
InChIKey
BJVYKVFAZRNUQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
61.8
TPSA
22.12
LogP / Solubility
WLOGP
3.58
MLOGP
3.16
XLogP3
3.6
Consensus LogP
3.45
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
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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2-BROMO-4-[4-(1,1-DIMETHYLETHYL)PHENYL]THIAZOLE
- CAS RN: 412923-63-8
- Product Code: SSC-149748
![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)