CAS RN: 750624-69-2
2-(3-BROMO-PHENYL)-THIAZOLE-4-CARBALDEHYDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250322 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS750624-69-2
- Purity/Analytical Methods: >99.0%
750624-69-2 / 2-(3-bromophenyl)-1,3-thiazole-4-carbaldehyde
Basic Information
CAS
750624-69-2
Multi CAS
No
Molecular Formula
BC10H6ORnS
Molecular Weight
268.130000
Exact Mass
266.935350
InChI
InChI=1S/C10H6BrNOS/c11-8-3-1-2-7(4-8)10-12-9(5-13)6-14-10/h1-6H
InChIKey
YNXSRZKASQSOPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
60.64
TPSA
29.96
LogP / Solubility
WLOGP
3.39
MLOGP
2.99
XLogP3
3.1
Consensus LogP
3.16
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
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)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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