![CAS 55476-47-6 10-[(4-Methylphenyl)sulfonyl]-10H-phenoxazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/55476-47-6.gif)
CAS RN: 55476-47-6
10-[(4-Methylphenyl)sulfonyl]-10H-phenoxazine
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS55476-47-6
- Purity/Analytical Methods: >99.0%
55476-47-6 / 10-(4-methylphenyl)sulfonylphenoxazine
Basic Information
CAS
55476-47-6
Multi CAS
No
Molecular Formula
C19H15NO3S
Molecular Weight
337.400000
Exact Mass
337.077265
InChI
InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3
InChIKey
DHZNMEIBMACSFH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
93.46
TPSA
46.61
LogP / Solubility
WLOGP
4.63
MLOGP
4.09
XLogP3
4.2
Consensus LogP
4.31
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
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)
-1.49
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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