![CAS 1598381-36-2 1-Oxa-3,9-diazaspiro[5.5]undecan-2-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB12710311.gif)
CAS RN: 1598381-36-2
1-Oxa-3,9-diazaspiro[5.5]undecan-2-one hydrochloride
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-067809
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 | Hong Kong | Inquiry |
1598381-36-2 / 1-oxa-3,9-diazaspiro[5.5]undecan-2-one;hydrochloride
Basic Information
CAS
1598381-36-2
Multi CAS
No
Molecular Formula
C8H15ClN2O2
Molecular Weight
206.670000
Exact Mass
206.082205
SMILES
C1CNCCC12CCNC(=O)O2.Cl
InChI
InChI=1S/C8H14N2O2.ClH/c11-7-10-6-3-8(12-7)1-4-9-5-2-8;/h9H,1-6H2,(H,10,11);1H
InChIKey
UFBTXWAQKVRUBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.88
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.18
TPSA
50.36
LogP / Solubility
WLOGP
0.66
MLOGP
0.58
XLogP3
0.66
Consensus LogP
0.63
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
EPZ011989 (trifluoroacetate)
- CAS RN: 1598383-41-5
- Product Code: starshine_CAS1598383-41-5
- Purity/Analytical method: >99.0%
-
-
-
4′-bromo-10-phenyl-10H-spiro[acridine-9,9′-fluorene]
- CAS RN: 1598410-12-8
- Product Code: starshine_CAS1598410-12-8
- Purity/Analytical method: >99.0%
-
(S)-methyl 3-(1-benzyl-1H-imidazol-4-yl)-2-(6-(benzyloxy)-5-methoxy-1H-indole-2-carboxamido)propanoate
- CAS RN: 1598424-76-0
- Product Code: starshine_CAS1598424-76-0
- Purity/Analytical method: >99.0%
![CAS 1598410-12-8 4′-bromo-10-phenyl-10H-spiro[acridine-9,9′-fluorene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1598410-12-8.gif)
