CAS RN: 1309925-39-0
10-(4-methoxybenzoyl)-10h-phenoxazine-3-carbonitrile
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.20251110 | 25mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1309925-39-0
- Purity/Analytical Methods: >99.0%
1309925-39-0 / 10-(4-methoxybenzoyl)phenoxazine-3-carbonitrile
Basic Information
CAS
1309925-39-0
Multi CAS
No
Molecular Formula
C21H14N2O3
Molecular Weight
342.300000
Exact Mass
342.100442
SMILES
COC1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)C#N)OC4=CC=CC=C42
InChI
InChI=1S/C21H14N2O3/c1-25-16-9-7-15(8-10-16)21(24)23-17-4-2-3-5-19(17)26-20-12-14(13-22)6-11-18(20)23/h2-12H,1H3
InChIKey
JNDAHXOWDRYLBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
97.14
TPSA
62.56
LogP / Solubility
WLOGP
4.65
MLOGP
4.11
XLogP3
3.8
Consensus LogP
4.19
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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