CAS RN: 62517-34-4
Ethyl p-hydroxyphenyllactate
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS62517-34-4
- Purity/Analytical Methods: >99.0%
62517-34-4 / ethyl 2-hydroxy-2-(4-hydroxyphenyl)propanoate
Basic Information
CAS
62517-34-4
Multi CAS
Yes
Molecular Formula
C11H14O4
Molecular Weight
210.230000
Exact Mass
210.089209
InChI
InChI=1S/C11H14O4/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8/h3-6,10,12-13H,2,7H2,1H3
InChIKey
MPPNCBJETJUYAO-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
4
H-bond donors
2
Molar refractivity
54.31
TPSA
66.76
LogP / Solubility
WLOGP
1.16
MLOGP
1.02
XLogP3
1.4
Consensus LogP
1.19
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-3.18
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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