![CAS 2133298-72-1 4,7-Diazaspiro[2.5]octane-4-carboxylic acid, 7-(2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidin-7-yl)-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2133298-72-1.png)
CAS RN: 2133298-72-1
4,7-Diazaspiro[2.5]octane-4-carboxylic acid, 7-(2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidin-7-yl)-, 1,1-dimethylethyl ester
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.20250725 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2133298-72-1
- Purity/Analytical Methods: >99.0%
2133298-72-1 / tert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate
Basic Information
CAS
2133298-72-1
Multi CAS
No
Molecular Formula
C19H24N4O4
Molecular Weight
372.400000
Exact Mass
372.179755
SMILES
CC(C)(C)OC(=O)N1CCN(CC12CC2)C3=CN4C(=NC(=CC4=O)O)C=C3
InChI
InChI=1S/C19H24N4O4/c1-18(2,3)27-17(26)23-9-8-21(12-19(23)6-7-19)13-4-5-14-20-15(24)10-16(25)22(14)11-13/h4-5,10-11,24H,6-9,12H2,1-3H3
InChIKey
LOMKIDUODAAOHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
10
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
1
Molar refractivity
100.24
TPSA
87.38
LogP / Solubility
WLOGP
1.99
MLOGP
1.77
XLogP3
0.9
Consensus LogP
1.55
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
-
1H-Pyrazole-3-carboxamide, 5-ethyl-4-methyl-N-[4-(2S)-2-morpholinylphenyl]-
- CAS RN: 2133417-13-5
- Product Code: starshine_CAS2133417-13-5
- Purity/Analytical method: >99.0%
-
Pyrano[4,3-c]pyrazole-3-carboxylic acid, 1,4,6,7-tetrahydro-, methyl ester
- CAS RN: 2133444-68-3
- Product Code: starshine_CAS2133444-68-3
- Purity/Analytical method: >99.0%
-
-
-
HSP27 inhibitor J2
- CAS RN: 2133499-85-9
- Product Code: starshine_CAS2133499-85-9
- Purity/Analytical method: >99.0%
![CAS 2133417-13-5 1H-Pyrazole-3-carboxamide, 5-ethyl-4-methyl-N-[4-(2S)-2-morpholinylphenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2133417-13-5.png)
![CAS 2133444-68-3 Pyrano[4,3-c]pyrazole-3-carboxylic acid, 1,4,6,7-tetrahydro-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2133444-68-3.png)
