![CAS 1823515-64-5 6-((TERT-BUTOXYCARBONYL)AMINO)-2-OXASPIRO[3.3]HEPTANE-6-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823515-64-5.gif)
CAS RN: 1823515-64-5
6-((TERT-BUTOXYCARBONYL)AMINO)-2-OXASPIRO[3.3]HEPTANE-6-CARBOXYLIC ACID
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.20250913 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1823515-64-5
- Purity/Analytical Methods: >99.0%
1823515-64-5 / 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxaspiro[3.3]heptane-6-carboxylic acid
Basic Information
CAS
1823515-64-5
Multi CAS
No
Molecular Formula
C12H19NO5
Molecular Weight
257.280000
Exact Mass
257.126323
SMILES
CC(C)(C)OC(=O)NC1(CC2(C1)COC2)C(=O)O
InChI
InChI=1S/C12H19NO5/c1-10(2,3)18-9(16)13-12(8(14)15)4-11(5-12)6-17-7-11/h4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
LAONOQFUIMNWIL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.22
TPSA
84.86
LogP / Solubility
WLOGP
1.14
MLOGP
1.01
XLogP3
0.6
Consensus LogP
0.92
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
4-Chloro-5-methoxy-2-nitro-benzoic acid methyl ester
- CAS RN: 1823517-66-3
- Product Code: SSC-083760
-
-
N-Boc-8-hydroxy-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-7-carbaldehyde
- CAS RN: 1823551-73-0
- Product Code: SSC-083769
-
ETHYL 6-CHLOROISOQUINOLINE-3-CARBOXYLATE
- CAS RN: 1823552-72-2
- Product Code: starshine_CAS1823552-72-2
- Purity/Analytical method: >99.0%
-
ETHYL 8-CHLOROISOQUINOLINE-3-CARBOXYLATE
- CAS RN: 1823552-79-9
- Product Code: starshine_CAS1823552-79-9
- Purity/Analytical method: >99.0%
-
(4-BroMo-benzothiazol-2-yl)-carbaMic acid tert-butyl ester
- CAS RN: 1823565-33-8
- Product Code: SSC-083780
![CAS 1823551-73-0 N-Boc-8-hydroxy-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-7-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72711062.gif)
