CAS RN: 677302-44-2
1-(Phenylsulfonyl)-4-azaindole
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.20251220 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS677302-44-2
- Purity/Analytical Methods: >99.0%
677302-44-2 / 1-(benzenesulfonyl)pyrrolo[3,2-b]pyridine
Basic Information
CAS
677302-44-2
Multi CAS
No
Molecular Formula
C13H10N2O2S
Molecular Weight
258.300000
Exact Mass
258.046299
InChI
InChI=1S/C13H10N2O2S/c16-18(17,11-5-2-1-3-6-11)15-10-8-12-13(15)7-4-9-14-12/h1-10H
InChIKey
HGOGRVVSSAWHTO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
68.76
TPSA
51.96
LogP / Solubility
WLOGP
2.27
MLOGP
2.01
XLogP3
2.2
Consensus LogP
2.16
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
5-Methoxybenzo[d]isothiazole-3-carboxylic acid
- CAS RN: 677304-76-6
- Product Code: starshine_CAS677304-76-6
- Purity/Analytical method: >99.0%
-
-
7-Benzothiazolecarboxylicacid,2-amino-,ethylester(9CI)
- CAS RN: 677304-89-1
- Product Code: SSC-177478
-
-
4-Methyl-5,6,7,8-tetrahydronaphthalen-1-aMine
- CAS RN: 677325-82-5
- Product Code: SSC-177482
![CAS 677304-76-6 5-Methoxybenzo[d]isothiazole-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/677304-76-6.gif)
