![CAS 1630907-09-3 Benzyl 1,7-diazaspiro[3.5]nonane-7-carboxylate oxalate(2:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1630907-09-3.gif)
CAS RN: 1630907-09-3
Benzyl 1,7-diazaspiro[3.5]nonane-7-carboxylate oxalate(2:1)
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.20251021 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1630907-09-3
- Purity/Analytical Methods: >99.0%
1630907-09-3 / bis(benzyl 1,7-diazaspiro[3.5]nonane-7-carboxylate);oxalic acid
Basic Information
CAS
1630907-09-3
Multi CAS
No
Molecular Formula
C32H42N4O8
Molecular Weight
610.700000
Exact Mass
610.300264
SMILES
C1CNC12CCN(CC2)C(=O)OCC3=CC=CC=C3.C1CNC12CCN(CC2)C(=O)OCC3=CC=CC=C3.C(=O)(C(=O)O)O
InChI
InChI=1S/2C15H20N2O2.C2H2O4/c2*18-14(19-12-13-4-2-1-3-5-13)17-10-7-15(8-11-17)6-9-16-15;3-1(4)2(5)6/h2*1-5,16H,6-12H2;(H,3,4)(H,5,6)
InChIKey
NDKQIMKBGVQVMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
4
Molar refractivity
160.84
TPSA
157.74
LogP / Solubility
WLOGP
3.46
MLOGP
3.09
XLogP3
3.46
Consensus LogP
3.34
Log S (ESOL)
-5.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.98
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
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