CAS RN: 78967-07-4
Mofezolac
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5 package records4 with current stock1 grade group
- Product code: starshine_CAS78967-07-4
- Purity/Analytical Methods: >99.0%
78967-07-4 / 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid
Basic Information
CAS
78967-07-4
Multi CAS
Yes
Molecular Formula
C19H17NO5
Molecular Weight
339.300000
Exact Mass
339.110673
InChI
InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
InChIKey
DJEIHHYCDCTAAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
17
Fraction Csp3
0.16
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
91.82
TPSA
81.79
LogP / Solubility
WLOGP
3.65
MLOGP
3.23
XLogP3
3.1
Consensus LogP
3.33
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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