CAS RN: 5725-91-7
RESORUFIN ETHYL ETHER
Product Availability
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3 package records1 with current stock1 grade group
- Product code: starshine_CAS5725-91-7
- Purity/Analytical Methods: >99.0%
5725-91-7 / 7-ethoxyphenoxazin-3-one
Basic Information
CAS
5725-91-7
Multi CAS
Yes
Molecular Formula
C14H11NO3
Molecular Weight
241.240000
Exact Mass
241.073893
InChI
InChI=1S/C14H11NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h3-8H,2H2,1H3
InChIKey
CRCWUBLTFGOMDD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
14
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
68.07
TPSA
52.33
LogP / Solubility
WLOGP
2.69
MLOGP
2.37
XLogP3
1.8
Consensus LogP
2.29
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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