![CAS 62826-01-1 5-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/62826-01-1.gif)
CAS RN: 62826-01-1
5-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS62826-01-1
- Purity/Analytical Methods: >99.0%
62826-01-1 / 5-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
Basic Information
CAS
62826-01-1
Multi CAS
No
Molecular Formula
C11H13NO3
Molecular Weight
207.230000
Exact Mass
207.089543
InChI
InChI=1S/C11H13NO3/c1-14-10-5-3-2-4-8(10)6-9-7-12-11(13)15-9/h2-5,9H,6-7H2,1H3,(H,12,13)
InChIKey
UFKMVMSIKJNHFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.97
TPSA
47.56
LogP / Solubility
WLOGP
1.35
MLOGP
1.19
XLogP3
1.7
Consensus LogP
1.41
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately 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)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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