![CAS 1263284-47-4 (5R,7S)-benzyl 7-Methyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate, 97%(HPLC) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1263284-47-4.png)
CAS RN: 1263284-47-4
(5R,7S)-benzyl 7-Methyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate, 97%(HPLC)
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.20250127 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINR926564
1263284-47-4 / benzyl (5R,7S)-7-methyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
Basic Information
CAS
1263284-47-4
Multi CAS
No
Molecular Formula
C17H22N2O3
Molecular Weight
302.370000
Exact Mass
302.163043
SMILES
C[C@H]1C[C@]2(CCN1C(=O)OCC3=CC=CC=C3)CC(=O)NC2
InChI
InChI=1S/C17H22N2O3/c1-13-9-17(10-15(20)18-12-17)7-8-19(13)16(21)22-11-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,18,20)/t13-,17+/m0/s1
InChIKey
WXNJWDCAYRTYAB-SUMWQHHRSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
82.09
TPSA
58.64
LogP / Solubility
WLOGP
2.31
MLOGP
2.05
XLogP3
1.7
Consensus LogP
2.02
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
Customers Also Viewed
-
![CAS 921599-79-3 (5R,7S,Z)-4-(cyclohexylimino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(5R,7S,Z)-4-(cyclohexylimino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one
- CAS RN: 921599-79-3
- Product Code: LINR926556
-
-
tert-Butyl 4-(6-((7-cyclopentyl-6-(dimethylcarbamoyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate
- CAS RN: 1374639-78-7
- Product Code: SSC-047020
-
(6-chloro-2-(trifluoromethyl)pyridin-3-yl)boronic acid
- CAS RN: 2096339-76-1
- Product Code: SSC-099432
-
(6-methoxynaphthalen-2-yl)methanamine, 97%(HPLC)
- CAS RN: 177736-15-1
- Product Code: LINM926669
-
![CAS 921599-79-3 (5R,7S,Z)-4-(cyclohexylimino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/921599-79-3.png)
![CAS 1374639-78-7 tert-Butyl 4-(6-((7-cyclopentyl-6-(dimethylcarbamoyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1374639-78-7.png)
