CAS RN: 224157-99-7
Sch59498
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.20250828 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS224157-99-7
- Purity/Analytical Methods: >99.0%
224157-99-7 / (11R,15S)-4-hexyl-8-methyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one
Basic Information
CAS
224157-99-7
Multi CAS
No
Molecular Formula
C17H25N5O
Molecular Weight
315.400000
Exact Mass
315.205910
SMILES
CCCCCCC1=NC2=C(N1)C(=O)N(C3=N[C@@H]4CCC[C@@H]4N23)C
InChI
InChI=1S/C17H25N5O/c1-3-4-5-6-10-13-19-14-15(20-13)22-12-9-7-8-11(12)18-17(22)21(2)16(14)23/h11-12H,3-10H2,1-2H3,(H,19,20)/t11-,12+/m1/s1
InChIKey
DYIUKMSMAJWWAT-NEPJUHHUSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
5
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
89.87
TPSA
64.59
LogP / Solubility
WLOGP
2.72
MLOGP
2.4
XLogP3
3.1
Consensus LogP
2.74
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4
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