![CAS 1823807-74-4 6-Benzyl-2,6-Diaza-Spiro[3.4]Octane-2,8-Dicarboxylic Acid 2-Tert-Butyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823807-74-4.gif)
CAS RN: 1823807-74-4
6-Benzyl-2,6-Diaza-Spiro[3.4]Octane-2,8-Dicarboxylic Acid 2-Tert-Butyl 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.20250717 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1823807-74-4
- Purity/Analytical Methods: >99.0%
1823807-74-4 / 7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
Basic Information
CAS
1823807-74-4
Multi CAS
No
Molecular Formula
C19H26N2O4
Molecular Weight
346.400000
Exact Mass
346.189257
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CN(CC2C(=O)O)CC3=CC=CC=C3
InChI
InChI=1S/C19H26N2O4/c1-18(2,3)25-17(24)21-12-19(13-21)11-20(10-15(19)16(22)23)9-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,22,23)
InChIKey
OVYBWRQPZUHUFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
93.08
TPSA
70.08
LogP / Solubility
WLOGP
2.44
MLOGP
2.16
XLogP3
-0.4
Consensus LogP
1.4
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
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
No
Log Kp (skin permeation)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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