![CAS 1523606-36-1 bis(benzyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);Benzyl 2,6-diazaspiro[3.3]heptane-2-carboxylate oxalate(2:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1523606-36-1.gif)
CAS RN: 1523606-36-1
bis(benzyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);Benzyl 2,6-diazaspiro[3.3]heptane-2-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.20260103 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-062195
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
1523606-36-1 / bis(benzyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid
Basic Information
CAS
1523606-36-1
Multi CAS
No
Molecular Formula
C28H34N4O8
Molecular Weight
554.600000
Exact Mass
554.237664
SMILES
C1C2(CN1)CN(C2)C(=O)OCC3=CC=CC=C3.C1C2(CN1)CN(C2)C(=O)OCC3=CC=CC=C3.C(=O)(C(=O)O)O
InChI
InChI=1S/2C13H16N2O2.C2H2O4/c2*16-12(15-9-13(10-15)7-14-8-13)17-6-11-4-2-1-3-5-11;3-1(4)2(5)6/h2*1-5,14H,6-10H2;(H,3,4)(H,5,6)
InChIKey
UPLPPLHPZAVKHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
4
Molar refractivity
142.28
TPSA
157.74
LogP / Solubility
WLOGP
1.61
MLOGP
1.46
XLogP3
1.61
Consensus LogP
1.56
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.96
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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