CAS RN: 886367-64-2
2-BROMO-4-(2-METHOXY-4-METHYL-PHENYL)-THIAZOLE
- Product code: SSC-199903
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 |
886367-64-2 / 2-bromo-4-(2-methoxy-4-methylphenyl)-1,3-thiazole
Basic Information
CAS
886367-64-2
Multi CAS
No
Molecular Formula
BC11H10ORnS
Molecular Weight
284.170000
Exact Mass
282.966650
InChI
InChI=1S/C11H10BrNOS/c1-7-3-4-8(10(5-7)14-2)9-6-15-11(12)13-9/h3-6H,1-2H3
InChIKey
HQHUMXBLUKXRFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
66.54
TPSA
22.12
LogP / Solubility
WLOGP
3.89
MLOGP
3.43
XLogP3
4
Consensus LogP
3.77
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
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)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
