![CAS 1306739-43-4 tert-Butyl (9-benzyl-1-oxa-9-azaspiro[5.5]undec-4-yl)carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB12555527.gif)
CAS RN: 1306739-43-4
tert-Butyl (9-benzyl-1-oxa-9-azaspiro[5.5]undec-4-yl)carbamate
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.20260215 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1306739-43-4
- Purity/Analytical Methods: >99.0%
1306739-43-4 / tert-butyl N-(9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)carbamate
Basic Information
CAS
1306739-43-4
Multi CAS
No
Molecular Formula
C21H32N2O3
Molecular Weight
360.500000
Exact Mass
360.241293
SMILES
CC(C)(C)OC(=O)NC1CCOC2(C1)CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C21H32N2O3/c1-20(2,3)26-19(24)22-18-9-14-25-21(15-18)10-12-23(13-11-21)16-17-7-5-4-6-8-17/h4-8,18H,9-16H2,1-3H3,(H,22,24)
InChIKey
RSKGYBOMPHCYHD-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
102.03
TPSA
50.8
LogP / Solubility
WLOGP
3.72
MLOGP
3.3
XLogP3
3.2
Consensus LogP
3.41
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.27
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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