![CAS 1250991-77-5 2-(ALLYLOXYCARBONYL)-8-(TERT-BUTOXYCARBONYL)-2,8-DIAZASPIRO[4.5]DECANE-3-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250991-77-5.gif)
CAS RN: 1250991-77-5
2-(ALLYLOXYCARBONYL)-8-(TERT-BUTOXYCARBONYL)-2,8-DIAZASPIRO[4.5]DECANE-3-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.20250923 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1250991-77-5
- Purity/Analytical Methods: >99.0%
1250991-77-5 / 8-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
Basic Information
CAS
1250991-77-5
Multi CAS
No
Molecular Formula
C18H28N2O6
Molecular Weight
368.400000
Exact Mass
368.194737
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(N(C2)C(=O)OCC=C)C(=O)O
InChI
InChI=1S/C18H28N2O6/c1-5-10-25-16(24)20-12-18(11-13(20)14(21)22)6-8-19(9-7-18)15(23)26-17(2,3)4/h5,13H,1,6-12H2,2-4H3,(H,21,22)
InChIKey
BRDAVNPSYONQDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.72
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
93.77
TPSA
96.38
LogP / Solubility
WLOGP
2.49
MLOGP
2.21
XLogP3
2
Consensus LogP
2.23
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly 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)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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