![CAS 1415407-60-1 (4-Cyclopropyl-3,4-dihydro-1(2H)-quinoxalinyl)[4-(2,5-dimethylphenoxy)-3-pyridinyl]methanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1415407-60-1.gif)
CAS RN: 1415407-60-1
(4-Cyclopropyl-3,4-dihydro-1(2H)-quinoxalinyl)[4-(2,5-dimethylphenoxy)-3-pyridinyl]methanone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250209 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1415407-60-1
- Purity/Analytical Methods: >99.0%
1415407-60-1 / (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dimethylphenoxy)-3-pyridinyl]methanone
Basic Information
CAS
1415407-60-1
Multi CAS
No
Molecular Formula
C25H25N3O2
Molecular Weight
399.500000
Exact Mass
399.194677
SMILES
CC1=CC(=C(C=C1)C)OC2=C(C=NC=C2)C(=O)N3CCN(C4=CC=CC=C43)C5CC5
InChI
InChI=1S/C25H25N3O2/c1-17-7-8-18(2)24(15-17)30-23-11-12-26-16-20(23)25(29)28-14-13-27(19-9-10-19)21-5-3-4-6-22(21)28/h3-8,11-12,15-16,19H,9-10,13-14H2,1-2H3
InChIKey
JQULIQJSYPZQMA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
118.71
TPSA
45.67
LogP / Solubility
WLOGP
5.12
MLOGP
4.53
XLogP3
4.6
Consensus LogP
4.75
Log S (ESOL)
-5.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.99
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)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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