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CAS 51095-47-7 methyl 4-hydroxyphenyllactate molecular structure lightbox
CAS RN: 51095-47-7

methyl 4-hydroxyphenyllactate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250109 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS51095-47-7
  • Purity/Analytical Methods: >99.0%
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51095-47-7 / methyl 2-hydroxy-3-(4-hydroxyphenyl)propanoate

Standard CAS: 51095-47-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51095-47-7
Multi CAS
Yes
Molecular Formula
C10H12O4
Molecular Weight
196.200000
Exact Mass
196.073559
InChI
InChI=1S/C10H12O4/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9,11-12H,6H2,1H3
InChIKey
PDFUCDWETSQSSU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.83
TPSA
66.76

LogP / Solubility

WLOGP
0.47
MLOGP
0.41
XLogP3
1.1
Consensus LogP
0.66
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
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)
-3.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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