![CAS 1068523-26-1 6-AMino-1,4,8-trioxaspiro[4.5]decane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1068523-26-1.gif)
CAS RN: 1068523-26-1
6-AMino-1,4,8-trioxaspiro[4.5]decane
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.20250410 | 1g / 5g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1068523-26-1
- Purity/Analytical Methods: >99.0%
1068523-26-1 / 1,4,8-trioxaspiro[4.5]decan-6-amine
6-AMINO-1,4,8-TRIOXASPIRO[4.5]DECANE | 1,4,8-TRIOXASPIRO[4.5]DECAN-6-AMINE | MFCD17016097
Basic Information
CAS
1068523-26-1
Multi CAS
Yes
Molecular Formula
C7H13NO3
Molecular Weight
159.180000
Exact Mass
159.089543
SMILES
C1COCC(C12OCCO2)N
InChI
InChI=1S/C7H13NO3/c8-6-5-9-2-1-7(6)10-3-4-11-7/h6H,1-5,8H2
InChIKey
MKUXRXRMIKBPCS-UHFFFAOYSA-N
Synonyms
6-AMINO-1,4,8-TRIOXASPIRO[4.5]DECANE
1,4,8-TRIOXASPIRO[4.5]DECAN-6-AMINE
MFCD17016097
SCHEMBL2189119
MKUXRXRMIKBPCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.05
TPSA
53.71
LogP / Solubility
WLOGP
-0.52
MLOGP
-0.47
XLogP3
-1.2
Consensus LogP
-0.73
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.26
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
6,6′-Di-O-sinapoylsucrose
- CAS RN: 1068661-35-7
- Product Code: starshine_CAS1068661-35-7
- Purity/Analytical method: >99.0%
-
-
ethyl 2-(pyrimidin-2-yl)pyrimidine-5-carboxylate
- CAS RN: 1068977-22-9
- Product Code: starshine_CAS1068977-22-9
- Purity/Analytical method: >99.0%
-
17-(t-Butyloxycarbonyl-amino)-9-aza-3,6,12,15-tetraoxa-10-on-heptadecanoic acid
- CAS RN: 1069067-08-8
- Product Code: SSC-008397
-
SCD1 inhibitor-1
- CAS RN: 1069094-65-0
- Product Code: starshine_CAS1069094-65-0
- Purity/Analytical method: >99.0%
-
(3aR,5r,6aS)-2-(tert-butoxycarbonyl)octahydrocyclopenta[c]pyrrole-5-carboxylic acid
- CAS RN: 1069113-47-8
- Product Code: SSC-008405
![CAS 1069113-47-8 (3aR,5r,6aS)-2-(tert-butoxycarbonyl)octahydrocyclopenta[c]pyrrole-5-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1069113-47-8.gif)