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CAS 62517-34-4 Ethyl p-hydroxyphenyllactate molecular structure lightbox
CAS RN: 62517-34-4

Ethyl p-hydroxyphenyllactate

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2 package records0 with current stock2 grade groups
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Batchno.20251124 5mg Out of stock 30 business days Inquiry
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  • Product code: starshine_CAS62517-34-4
  • Purity/Analytical Methods: >99.0%
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62517-34-4 / ethyl 2-hydroxy-2-(4-hydroxyphenyl)propanoate

Standard CAS: 62517-34-4 Multi CAS: Yes
Basic Information Computed Properties

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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