![CAS 1366396-42-0 2-Oxa-6-azaspiro[3.5]nonane oxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1366396-42-0.gif)
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 | Beijing | Inquiry |
1366396-42-0 / 2-oxa-8-azaspiro[3.5]nonane;oxalic acid
Basic Information
CAS
1366396-42-0
Multi CAS
No
Molecular Formula
C9H15NO5
Molecular Weight
217.220000
Exact Mass
217.095023
SMILES
C1CC2(CNC1)COC2.C(=O)(C(=O)O)O
InChI
InChI=1S/C7H13NO.C2H2O4/c1-2-7(4-8-3-1)5-9-6-7;3-1(4)2(5)6/h8H,1-6H2;(H,3,4)(H,5,6)
InChIKey
SVFOFCAQNSCVES-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
50.63
TPSA
95.86
LogP / Solubility
WLOGP
-0.46
MLOGP
-0.4
XLogP3
-0.46
Consensus LogP
-0.44
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
(S)-2-(2,3-Bis(dicyclohexylaMino)cyclopropeniMine)-3-phenylpropan-1-ol hydrochloride AldrichCPR
- CAS RN: 1366421-67-1
- Product Code: starshine_CAS1366421-67-1
- Purity/Analytical method: >99.0%
-
-
-
2-(4-cyclopropylmethoxyphenyl)-4,4,5,5-tetramethyl[1,3,2]dioxaborolane
- CAS RN: 1366577-88-9
- Product Code: SSC-045686
-
6-Oxa-2,9-diaza-spiro[4.5]decane-2-carboxylicacidtert-butylester(WX100458)
- CAS RN: 1366647-28-0
- Product Code: SSC-045693
-
(R)-3-Phenoxy-pyrrolidine.HCl
- CAS RN: 1366664-52-9
- Product Code: starshine_CAS1366664-52-9
- Purity/Analytical method: >99.0%
.gif)
![CAS 1366577-88-9 2-(4-cyclopropylmethoxyphenyl)-4,4,5,5-tetramethyl[1,3,2]dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB23089637(1).gif)
![CAS 1366647-28-0 6-Oxa-2,9-diaza-spiro[4.5]decane-2-carboxylicacidtert-butylester(WX100458) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1366647-28-0.gif)
