CAS RN: 835346-86-6
4-BROMOMETHYL-2-(4-CHLORO-PHENYL)-THIAZOLE
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.20251008 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS835346-86-6
- Purity/Analytical Methods: >99.0%
835346-86-6 / 4-(bromomethyl)-2-(4-chlorophenyl)-1,3-thiazole
Basic Information
CAS
835346-86-6
Multi CAS
No
Molecular Formula
C10H7BRCLNS
Molecular Weight
288.590000
Exact Mass
286.917110
InChI
InChI=1S/C10H7BrClNS/c11-5-9-6-14-10(13-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2
InChIKey
AMTMXFWQOUHDAS-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
2
Molar refractivity
65.19
TPSA
12.89
LogP / Solubility
WLOGP
4.36
MLOGP
3.85
XLogP3
3.8
Consensus LogP
4
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
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)
-1.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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