CAS RN: 70-07-5
Mephenoxalone
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS70-07-5
- Purity/Analytical Methods: >99.0%
70-07-5 / 5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
Basic Information
CAS
70-07-5
Multi CAS
Yes
Molecular Formula
C11H13NO4
Molecular Weight
223.220000
Exact Mass
223.084458
InChI
InChI=1S/C11H13NO4/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8/h2-5,8H,6-7H2,1H3,(H,12,13)
InChIKey
ZMNSRFNUONFLSP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.76
TPSA
56.79
LogP / Solubility
WLOGP
1.18
MLOGP
1.04
XLogP3
1.4
Consensus LogP
1.21
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-3.24
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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- CAS RN: 70-40-6
- Product Code: starshine_CAS70-40-6
- Purity/Analytical method: >99.0%
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