CAS RN: 90481-40-6
2-(2-BENZOTHIAZOLYL)-5-CHLOROPHENOL
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.20250910 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS90481-40-6
- Purity/Analytical Methods: >99.0%
90481-40-6 / 2-(1,3-benzothiazol-2-yl)-5-chlorophenol
Basic Information
CAS
90481-40-6
Multi CAS
No
Molecular Formula
C13H8CLNOS
Molecular Weight
261.730000
Exact Mass
261.001513
InChI
InChI=1S/C13H8ClNOS/c14-8-5-6-9(11(16)7-8)13-15-10-3-1-2-4-12(10)17-13/h1-7,16H
InChIKey
SUNZOUNQHJKFPC-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
71.73
TPSA
33.12
LogP / Solubility
WLOGP
4.32
MLOGP
3.81
XLogP3
4.5
Consensus LogP
4.21
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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)
-1.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-(2-BENZOTHIAZOLYL)-5-METHOXYPHENOL
- CAS RN: 90481-46-2
- Product Code: starshine_CAS90481-46-2
- Purity/Analytical method: >99.0%
-
3-Bromo-N-(p-toluenesulfonyl)indole
- CAS RN: 90481-77-9
- Product Code: starshine_CAS90481-77-9
- Purity/Analytical method: >99.0%
-
4-OXO-2-CARBOXYCYCLOHEPTANE
- CAS RN: 90482-29-4
- Product Code: starshine_CAS90482-29-4
- Purity/Analytical method: >99.0%
-
2-Oxabicyclo[3.1.0]hexane-6-carboxylic acid, ethyl ester
- CAS RN: 90482-42-1
- Product Code: starshine_CAS90482-42-1
- Purity/Analytical method: >99.0%
-
-
![CAS 90482-42-1 2-Oxabicyclo[3.1.0]hexane-6-carboxylic acid, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/90482-42-1.gif)
