![CAS 1179337-02-0 2-benzhydryl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1179337-02-0.gif)
CAS RN: 1179337-02-0
2-benzhydryl-5-oxa-2,8-diazaspiro[3.5]nonan-7-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.20251121 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-017758
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1179337-02-0 / 2-benzhydryl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
2-benzhydryl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one | 2-(Diphenylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one | MFCD11227136
Basic Information
CAS
1179337-02-0
Multi CAS
No
Molecular Formula
C19H20N2O2
Molecular Weight
308.400000
Exact Mass
308.152478
SMILES
C1C(=O)NCC2(O1)CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H20N2O2/c22-17-11-23-19(12-20-17)13-21(14-19)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,18H,11-14H2,(H,20,22)
InChIKey
LRHIIOKCMVKWJB-UHFFFAOYSA-N
Synonyms
2-benzhydryl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
2-(Diphenylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
MFCD11227136
SCHEMBL1246058
LRHIIOKCMVKWJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.99
TPSA
41.57
LogP / Solubility
WLOGP
1.98
MLOGP
1.75
XLogP3
2.1
Consensus LogP
1.94
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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