CAS RN: 201227-23-8
5-BroMo-3-(Methylthio)-1H-indazole
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.20250523 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS201227-23-8
- Purity/Analytical Methods: >99.0%
201227-23-8 / 5-bromo-3-methylsulfanyl-1H-indazole
Basic Information
CAS
201227-23-8
Multi CAS
No
Molecular Formula
C8H7BrN2S
Molecular Weight
243.130000
Exact Mass
241.951330
SMILES
CSC1=NNC2=C1C=C(C=C2)Br
InChI
InChI=1S/C8H7BrN2S/c1-12-8-6-4-5(9)2-3-7(6)10-11-8/h2-4H,1H3,(H,10,11)
InChIKey
BGLZAKHTTIEEMC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.57
TPSA
28.68
LogP / Solubility
WLOGP
3.05
MLOGP
2.69
XLogP3
3.1
Consensus LogP
2.95
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly 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)
-2.04
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
-
-
-
trans-3-Pyrrolidinecarboxylic acid, 4-ethyl-1-(phenylmethyl)-, ethyl ester
- CAS RN: 201228-21-9
- Product Code: SSC-094934
-
-
3-Azabicyclo[3.1.0]hexane-2-carboxylicacid,6,6-difluoro-4-oxo-,(1R,2R,5S)-(9CI)
- CAS RN: 201231-40-5
- Product Code: SSC-094936
-
![CAS 201231-40-5 3-Azabicyclo[3.1.0]hexane-2-carboxylicacid,6,6-difluoro-4-oxo-,(1R,2R,5S)-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/201231-40-5.gif)
