![CAS 2177263-91-9 Tert-Butyl 2-Benzyl-4-(Hydroxymethyl)-2,8-Diazaspiro[4.5]Decane-8-Carboxylate(WX101488) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2177263-91-9.png)
CAS RN: 2177263-91-9
Tert-Butyl 2-Benzyl-4-(Hydroxymethyl)-2,8-Diazaspiro[4.5]Decane-8-Carboxylate(WX101488)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250304 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2177263-91-9
- Purity/Analytical Methods: >99.0%
2177263-91-9 / tert-butyl 2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate
Basic Information
CAS
2177263-91-9
Multi CAS
No
Molecular Formula
C21H32N2O3
Molecular Weight
360.500000
Exact Mass
360.241293
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CN(CC2CO)CC3=CC=CC=C3
InChI
InChI=1S/C21H32N2O3/c1-20(2,3)26-19(25)23-11-9-21(10-12-23)16-22(14-18(21)15-24)13-17-7-5-4-6-8-17/h4-8,18,24H,9-16H2,1-3H3
InChIKey
KJHMNIXGSDVOAX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
101.77
TPSA
53.01
LogP / Solubility
WLOGP
3.13
MLOGP
2.77
XLogP3
2.6
Consensus LogP
2.83
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly 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
Yes
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 2177264-11-6 Tert-Butyl 1-Benzyl-3-Iodo-1,8-Diazaspiro[4.5]Decane-8-Carboxylate(WX102162) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2177264-11-6.png)
