![CAS 1158749-81-5 1,6-Diazaspiro[3.4]octane-6-carboxylic acid, phenylMethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1158749-81-5.gif)
CAS RN: 1158749-81-5
1,6-Diazaspiro[3.4]octane-6-carboxylic acid, 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.20250918 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1158749-81-5
- Purity/Analytical Methods: >99.0%
1158749-81-5 / benzyl 1,7-diazaspiro[3.4]octane-7-carboxylate
6-CBZ-1,6-DIAZASPIRO[3.4]OCTANE | BENZYL 1,6-DIAZASPIRO[3.4]OCTANE-6-CARBOXYLATE | benzyl 1,7-diazaspiro[3.4]octane-7-carboxylate
Basic Information
CAS
1158749-81-5
Multi CAS
Yes
Molecular Formula
C14H18N2O2
Molecular Weight
246.300000
Exact Mass
246.136828
SMILES
C1CNC12CCN(C2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C14H18N2O2/c17-13(18-10-12-4-2-1-3-5-12)16-9-7-14(11-16)6-8-15-14/h1-5,15H,6-11H2
InChIKey
OOQXVAQAZSHCCR-UHFFFAOYSA-N
Synonyms
6-CBZ-1,6-DIAZASPIRO[3.4]OCTANE
BENZYL 1,6-DIAZASPIRO[3.4]OCTANE-6-CARBOXYLATE
benzyl 1,7-diazaspiro[3.4]octane-7-carboxylate
MFCD12406511
DTXSID90745357
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.17
TPSA
41.57
LogP / Solubility
WLOGP
1.76
MLOGP
1.56
XLogP3
1.3
Consensus LogP
1.54
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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