CAS RN: 646051-96-9
Cyclopropanesulfonamide, 1-phenyl- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260627 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS646051-96-9
- Purity/Analytical Methods: >99.0%
646051-96-9 / 1-phenylcyclopropane-1-sulfonamide
Basic Information
CAS
646051-96-9
Multi CAS
No
Molecular Formula
C9H11NO2S
Molecular Weight
197.260000
Exact Mass
197.051050
InChI
InChI=1S/C9H11NO2S/c10-13(11,12)9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11,12)
InChIKey
QMLBDQXYMKUDPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.46
TPSA
60.16
LogP / Solubility
WLOGP
0.96
MLOGP
0.85
XLogP3
0.8
Consensus LogP
0.87
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1-Fluoro-4-(4-nitrophenyl)-2-(trifluoroMethyl)benzene
- CAS RN: 646054-51-5
- Product Code: starshine_CAS646054-51-5
- Purity/Analytical method: >99.0%
-
1-Benzyl-1,7-diaza-spiro[4.4]nonane-7-carboxylic acid tert-butyl ester
- CAS RN: 646055-62-1
- Product Code: starshine_CAS646055-62-1
- Purity/Analytical method: >99.0%
-
-
1-Azabicyclo[2.2.1]heptane-7-carboxylic acid, hydrochloride
- CAS RN: 646055-94-9
- Product Code: starshine_CAS646055-94-9
- Purity/Analytical method: >99.0%
-
-
![CAS 646055-62-1 1-Benzyl-1,7-diaza-spiro[4.4]nonane-7-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/646055-62-1.gif)
![CAS 646055-63-2 7-Boc-1,7-diaza-spiro[4.4]nonane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/646055-63-2.gif)
![CAS 646055-94-9 1-Azabicyclo[2.2.1]heptane-7-carboxylic acid, hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/646055-94-9.gif)
