![CAS 1523617-89-1 1-phenyl-1,6-diazaspiro[3.3]heptane hemioxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1523617-89-1.gif)
CAS RN: 1523617-89-1
1-phenyl-1,6-diazaspiro[3.3]heptane hemioxalate
- Product code: SSC-062213
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: 0.25g
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1523617-89-1 / oxalic acid;bis(1-phenyl-1,6-diazaspiro[3.3]heptane)
Basic Information
CAS
1523617-89-1
Multi CAS
No
Molecular Formula
C24H30N4O4
Molecular Weight
438.500000
Exact Mass
438.226705
SMILES
C1CN(C12CNC2)C3=CC=CC=C3.C1CN(C12CNC2)C3=CC=CC=C3.C(=O)(C(=O)O)O
InChI
InChI=1S/2C11H14N2.C2H2O4/c2*1-2-4-10(5-3-1)13-7-6-11(13)8-12-9-11;3-1(4)2(5)6/h2*1-5,12H,6-9H2;(H,3,4)(H,5,6)
InChIKey
LDWDRKRLNHBYGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
4
Molar refractivity
123.28
TPSA
105.14
LogP / Solubility
WLOGP
1.63
MLOGP
1.47
XLogP3
1.63
Consensus LogP
1.58
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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