![CAS 1216815-21-2 tert-butyl 3-(broMoMethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1216815-21-2.gif)
CAS RN: 1216815-21-2
tert-butyl 3-(broMoMethyl)-2-oxa-8-azaspiro[4.5]decane-8-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.20260524 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1216815-21-2
- Purity/Analytical Methods: >99.0%
1216815-21-2 / tert-butyl 3-(bromomethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
Basic Information
CAS
1216815-21-2
Multi CAS
No
Molecular Formula
C14H24BrNO3
Molecular Weight
334.250000
Exact Mass
333.093960
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(OC2)CBr
InChI
InChI=1S/C14H24BrNO3/c1-13(2,3)19-12(17)16-6-4-14(5-7-16)8-11(9-15)18-10-14/h11H,4-10H2,1-3H3
InChIKey
MMYHBYDKBBFVKS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
77.63
TPSA
38.77
LogP / Solubility
WLOGP
3.19
MLOGP
2.82
XLogP3
2.5
Consensus LogP
2.84
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
2-(2,6-Difluoro-phenyl)-2-Methyl-propionic acid
- CAS RN: 1216838-87-7
- Product Code: SSC-024320
-
Doxylamine-d5 Succinate
- CAS RN: 1216840-94-6
- Product Code: starshine_CAS1216840-94-6
- Purity/Analytical method: >99.0%
-
Desethyl-desisopropyl Atrazine-13C3
- CAS RN: 1216850-33-7
- Product Code: starshine_CAS1216850-33-7
- Purity/Analytical method: >99.0%
-
methyl 6-bromo-2-methyl-2H-indazole-3-carboxylate
- CAS RN: 1216852-55-9
- Product Code: SSC-024321
-
[(5-Fluoro-1H-benzimidazol-2-yl)methyl]amine dihydrochloride
- CAS RN: 1216862-84-8
- Product Code: SSC-024322
-
[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine hydrochloride
- CAS RN: 1216872-37-5
- Product Code: SSC-024323
![CAS 1216862-84-8 [(5-Fluoro-1H-benzimidazol-2-yl)methyl]amine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92556131.gif)
![CAS 1216872-37-5 [(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1216872-37-5.gif)