![CAS 1207754-85-5 2-(p-Tolylsulfonyl)-6-oxa-2-azaspiro[2.5]octane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1207754-85-5.gif)
CAS RN: 1207754-85-5
2-(p-Tolylsulfonyl)-6-oxa-2-azaspiro[2.5]octane
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.20250610 | 250mg / 500mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1207754-85-5
- Purity/Analytical Methods: >99.0%
1207754-85-5 / 1-(4-methylphenyl)sulfonyl-6-oxa-1-azaspiro[2.5]octane
2-(P-TOLYLSULFONYL)-6-OXA-2-AZASPIRO[2.5]OCTANE | 1-Tosyl-6-oxa-1-azaspiro[2.5]Octane | 1-[(4-methylphenyl)sulfonyl]-6-Oxa-1-azaspiro[2.5]octane
Basic Information
CAS
1207754-85-5
Multi CAS
No
Molecular Formula
C13H17NO3S
Molecular Weight
267.350000
Exact Mass
267.092915
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC23CCOCC3
InChI
InChI=1S/C13H17NO3S/c1-11-2-4-12(5-3-11)18(15,16)14-10-13(14)6-8-17-9-7-13/h2-5H,6-10H2,1H3
InChIKey
OSRAUQFHLRKEPJ-UHFFFAOYSA-N
Synonyms
2-(P-TOLYLSULFONYL)-6-OXA-2-AZASPIRO[2.5]OCTANE
1-Tosyl-6-oxa-1-azaspiro[2.5]Octane
1-[(4-methylphenyl)sulfonyl]-6-Oxa-1-azaspiro[2.5]octane
1-(4-methylphenyl)sulfonyl-6-oxa-1-azaspiro[2.5]octane
SCHEMBL1920025
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
67.85
TPSA
46.38
LogP / Solubility
WLOGP
1.55
MLOGP
1.37
XLogP3
1.4
Consensus LogP
1.44
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 1207754-86-6 2-(p-Tolylsulfonyl)-6-thia-2-azaspiro[2.5]octane molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-(p-Tolylsulfonyl)-6-thia-2-azaspiro[2.5]octane
- CAS RN: 1207754-86-6
- Product Code: starshine_CAS1207754-86-6
- Purity/Analytical method: >99.0%
-
(R)-tert-butyl 2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate
- CAS RN: 1207754-99-1
- Product Code: SSC-022024
-
3-bromo-1H-1,2,4-triazole-5-carboxamide(SALTDATA: FREE)
- CAS RN: 1207755-03-0
- Product Code: starshine_CAS1207755-03-0
- Purity/Analytical method: >99.0%
-
-
6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
- CAS RN: 1207836-10-9
- Product Code: SSC-022029
-
![CAS 1207754-86-6 2-(p-Tolylsulfonyl)-6-thia-2-azaspiro[2.5]octane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1207754-86-6.gif)
![CAS 1207836-10-9 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1207836-10-9.gif)
![CAS 1207839-86-8 4-BroMo-6-Methoxypyrazolo[1,5-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1207839-86-8.gif)