CAS RN: 929300-19-6
AZ084
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250501 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS929300-19-6
- Purity/Analytical Methods: >99.0%
929300-19-6 / (5-amino-2-pyridinyl)-[9-[(2,2-dimethyl-3H-1-benzofuran-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
Basic Information
CAS
929300-19-6
Multi CAS
No
Molecular Formula
C26H34N4O2
Molecular Weight
434.600000
Exact Mass
434.268176
InChI
InChI=1S/C26H34N4O2/c1-25(2)16-21-19(4-3-5-23(21)32-25)18-29-12-8-26(9-13-29)10-14-30(15-11-26)24(31)22-7-6-20(27)17-28-22/h3-7,17H,8-16,18,27H2,1-2H3
InChIKey
WIGFMKMFRGRSDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
125.58
TPSA
71.69
LogP / Solubility
WLOGP
3.9
MLOGP
3.46
XLogP3
3.2
Consensus LogP
3.52
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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