![CAS 90481-37-1 2-(benzo[d]thiazol-2-yl)-5-broMophenol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/90481-37-1.gif)
CAS RN: 90481-37-1
2-(benzo[d]thiazol-2-yl)-5-broMophenol
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.20260423 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS90481-37-1
- Purity/Analytical Methods: >99.0%
90481-37-1 / 2-(1,3-benzothiazol-2-yl)-5-bromophenol
Basic Information
CAS
90481-37-1
Multi CAS
No
Molecular Formula
BC13H8ORnS
Molecular Weight
306.180000
Exact Mass
304.951000
InChI
InChI=1S/C13H8BrNOS/c14-8-5-6-9(11(16)7-8)13-15-10-3-1-2-4-12(10)17-13/h1-7,16H
InChIKey
NCUJNZPUOAJMOR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.42
TPSA
33.12
LogP / Solubility
WLOGP
4.43
MLOGP
3.91
XLogP3
4.6
Consensus LogP
4.31
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
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)
-1.44
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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