![CAS 147611-04-9 7-Azaspiro[3.5]nonane-7-carboxylic acid, 2-[[(1,1-diMethylethoxy)carbonyl]aMino]-, phenylMethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147611-04-9.gif)
CAS RN: 147611-04-9
7-Azaspiro[3.5]nonane-7-carboxylic acid, 2-[[(1,1-diMethylethoxy)carbonyl]aMino]-, phenylMethyl ester
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.20260404 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS147611-04-9
- Purity/Analytical Methods: >99.0%
147611-04-9 / benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-azaspiro[3.5]nonane-7-carboxylate
Basic Information
CAS
147611-04-9
Multi CAS
No
Molecular Formula
C21H30N2O4
Molecular Weight
374.500000
Exact Mass
374.220557
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CCN(CC2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C21H30N2O4/c1-20(2,3)27-18(24)22-17-13-21(14-17)9-11-23(12-10-21)19(25)26-15-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3,(H,22,24)
InChIKey
FMHNRYDVEZHYDR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
102.26
TPSA
67.87
LogP / Solubility
WLOGP
4.09
MLOGP
3.62
XLogP3
3.5
Consensus LogP
3.74
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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