![CAS 914389-34-7 2,5-Diazaspiro[3.4]octane-5-carboxylic acid, 1-oxo-, phenylMethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/914389-34-7.gif)
CAS RN: 914389-34-7
2,5-Diazaspiro[3.4]octane-5-carboxylic acid, 1-oxo-, phenylMethyl ester
- Product code: SSC-204574
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 | Shenzhen | Inquiry |
914389-34-7 / benzyl 3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
Basic Information
CAS
914389-34-7
Multi CAS
No
Molecular Formula
C14H16N2O3
Molecular Weight
260.290000
Exact Mass
260.116092
InChI
InChI=1S/C14H16N2O3/c17-12-14(10-15-12)7-4-8-16(14)13(18)19-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,15,17)
InChIKey
ZNBUBJKKAJDWOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.31
TPSA
58.64
LogP / Solubility
WLOGP
1.29
MLOGP
1.14
XLogP3
1.1
Consensus LogP
1.18
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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- Product Code: SSC-204579
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![CAS 914399-96-5 (9H-Fluoren-9-yl)MethOxy]Carbonyl Alpha-Methyl-D-Ser(tBu)-OH molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/914399-96-5.gif)
