![CAS 663172-75-6 3-tosyl-3-azabicyclo[3.2.0]heptan-6-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/663172-75-6.gif)
CAS RN: 663172-75-6
3-tosyl-3-azabicyclo[3.2.0]heptan-6-ol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251017 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | 3-5 business days | Inquiry |
- Product code: starshine_CAS663172-75-6
- Purity/Analytical Methods: >99.0%
663172-75-6 / 3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-ol
Basic Information
CAS
663172-75-6
Multi CAS
No
Molecular Formula
C13H17NO3S
Molecular Weight
267.350000
Exact Mass
267.092915
InChI
InChI=1S/C13H17NO3S/c1-9-2-4-11(5-3-9)18(16,17)14-7-10-6-13(15)12(10)8-14/h2-5,10,12-13,15H,6-8H2,1H3
InChIKey
BGOYZQVNHDZPBO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.54
TPSA
57.61
LogP / Solubility
WLOGP
1
MLOGP
0.88
XLogP3
1.2
Consensus LogP
1.03
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately 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)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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