![CAS 686344-67-2 2-benzhydryl-5-benzyl-2,5,7-triazaspiro[3.4]oct-6-en-8-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/686344-67-2.gif)
CAS RN: 686344-67-2
2-benzhydryl-5-benzyl-2,5,7-triazaspiro[3.4]oct-6-en-8-one
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.20250706 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-178353
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: 1g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
686344-67-2 / 2-benzhydryl-5-benzyl-2,5,7-triazaspiro[3.4]oct-6-en-8-one
Basic Information
CAS
686344-67-2
Multi CAS
No
Molecular Formula
C25H23N3O
Molecular Weight
381.500000
Exact Mass
381.184112
InChI
InChI=1S/C25H23N3O/c29-24-25(28(19-26-24)16-20-10-4-1-5-11-20)17-27(18-25)23(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19,23H,16-18H2
InChIKey
MRSWKPIKTNDRNA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
114.52
TPSA
35.91
LogP / Solubility
WLOGP
3.9
MLOGP
3.45
XLogP3
3.8
Consensus LogP
3.72
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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