![CAS 1823835-45-5 2-(((9H-Fluoren-9-Yl)Methoxy)Carbonyl)-8-Thia-2-Azaspiro[4.5]Decane-4-Carboxylic Acid 8,8-Dioxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823835-45-5.gif)
CAS RN: 1823835-45-5
2-(((9H-Fluoren-9-Yl)Methoxy)Carbonyl)-8-Thia-2-Azaspiro[4.5]Decane-4-Carboxylic Acid 8,8-Dioxide
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.20250324 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823835-45-5
- Purity/Analytical Methods: >99.0%
1823835-45-5 / 2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8lambda6-thia-2-azaspiro[4.5]decane-4-carboxylic acid
Basic Information
CAS
1823835-45-5
Multi CAS
No
Molecular Formula
C24H25NO6S
Molecular Weight
455.500000
Exact Mass
455.140259
SMILES
C1CS(=O)(=O)CCC12CN(CC2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C24H25NO6S/c26-22(27)21-13-25(15-24(21)9-11-32(29,30)12-10-24)23(28)31-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,20-21H,9-15H2,(H,26,27)
InChIKey
VFJGNTQGKHJTNA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
118.09
TPSA
100.98
LogP / Solubility
WLOGP
3.15
MLOGP
2.8
XLogP3
2.5
Consensus LogP
2.82
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
-
benzyl 2-oxa-6-azaspiro[3.4]octane-6-carboxylate
- CAS RN: 1823862-50-5
- Product Code: SSC-083906
-
9-Tert-Butyl 3-Methyl 2-Oxo-9-Azabicyclo[3.3.1]Nonane-3,9-Dicarboxylate
- CAS RN: 1823862-55-0
- Product Code: SSC-083907
-
Methyl 3-nitroimidazo[1,2-a]pyridine-7-carboxylate
- CAS RN: 1823865-12-8
- Product Code: SSC-083912
-
Tert-Butyl 3-(2-Ethoxy-2-Oxoethyl)-3-Hydroxyazetidine-1-Carboxylate
- CAS RN: 1823865-53-7
- Product Code: SSC-083913
-
(1-Tetrahydro-2h-pyran-2-yl-1h-pyrazol-5-yl)methanol
- CAS RN: 1823866-20-1
- Product Code: SSC-083916
![CAS 1823862-50-5 benzyl 2-oxa-6-azaspiro[3.4]octane-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823862-50-5.gif)
![CAS 1823862-55-0 9-Tert-Butyl 3-Methyl 2-Oxo-9-Azabicyclo[3.3.1]Nonane-3,9-Dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823862-55-0.gif)
![CAS 1823865-12-8 Methyl 3-nitroimidazo[1,2-a]pyridine-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823865-12-8.gif)
