![CAS 1650547-09-3 5-(BENZYLOXY)-7-BROMOBENZO[D]THIAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1650547-09-3.gif)
CAS RN: 1650547-09-3
5-(BENZYLOXY)-7-BROMOBENZO[D]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.20260608 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1650547-09-3
- Purity/Analytical Methods: >99.0%
1650547-09-3 / 7-bromo-5-phenylmethoxy-1,3-benzothiazole
Basic Information
CAS
1650547-09-3
Multi CAS
No
Molecular Formula
C14H10BrNOS
Molecular Weight
320.210000
Exact Mass
318.966650
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C(=C2)Br)SC=N3
InChI
InChI=1S/C14H10BrNOS/c15-12-6-11(7-13-14(12)18-9-16-13)17-8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKey
CKXCTNOCHCLYJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
78.09
TPSA
22.12
LogP / Solubility
WLOGP
4.64
MLOGP
4.1
XLogP3
4.5
Consensus LogP
4.41
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
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)
-1.38
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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