![CAS 1823776-19-7 Tert-Butyl 8-(2-Hydroxyethyl)-5-Oxa-2-Azaspiro[3.4]Octane-2-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823776-19-7.gif)
CAS RN: 1823776-19-7
Tert-Butyl 8-(2-Hydroxyethyl)-5-Oxa-2-Azaspiro[3.4]Octane-2-Carboxylate
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.20251231 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823776-19-7
- Purity/Analytical Methods: >99.0%
1823776-19-7 / tert-butyl 8-(2-hydroxyethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
Basic Information
CAS
1823776-19-7
Multi CAS
No
Molecular Formula
C13H23NO4
Molecular Weight
257.330000
Exact Mass
257.162708
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C(CCO2)CCO
InChI
InChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-8-13(9-14)10(4-6-15)5-7-17-13/h10,15H,4-9H2,1-3H3
InChIKey
KLEPKXHBHJIVDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.3
TPSA
59
LogP / Solubility
WLOGP
1.39
MLOGP
1.23
XLogP3
0.7
Consensus LogP
1.11
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
Tert-Butyl 2-(4-Methoxyphenyl)-4-Oxopiperidine-1-Carboxylate
- CAS RN: 1823776-36-8
- Product Code: starshine_CAS1823776-36-8
- Purity/Analytical method: >99.0%
-
8-Benzyl 1-Tert-Butyl 2-(Aminomethyl)-1,8-Diazaspiro[4.5]Decane-1,8-Dicarboxylate
- CAS RN: 1823776-49-3
- Product Code: starshine_CAS1823776-49-3
- Purity/Analytical method: >99.0%
-
2-(5-bromo-2-methyl-2H-indazol-3-yl)propan-2-ol
- CAS RN: 1823787-20-7
- Product Code: starshine_CAS1823787-20-7
- Purity/Analytical method: >99.0%
-
Tert-Butyl 4-(2-Aminoethyl)-4,5-Dihydro-1H-Pyrrolo[1,2-A][1,4]Diazepine-2(3H)-Carboxylate
- CAS RN: 1823794-60-0
- Product Code: starshine_CAS1823794-60-0
- Purity/Analytical method: >99.0%
-
TERT-BUTYL 3-(2-AMINOCYCLOBUTYL)AZETIDINE-1-CARBOXYLATE
- CAS RN: 1823805-31-7
- Product Code: SSC-083830
-
1-(4-N,N-Di-boc-aminophenyl)ethanone
- CAS RN: 1823806-99-0
- Product Code: starshine_CAS1823806-99-0
- Purity/Analytical method: >99.0%
![CAS 1823776-49-3 8-Benzyl 1-Tert-Butyl 2-(Aminomethyl)-1,8-Diazaspiro[4.5]Decane-1,8-Dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823776-49-3.gif)
![CAS 1823794-60-0 Tert-Butyl 4-(2-Aminoethyl)-4,5-Dihydro-1H-Pyrrolo[1,2-A][1,4]Diazepine-2(3H)-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823794-60-0.gif)
