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CAS 96562-58-2 Methyl (R)-(+)-2-(4-Hydroxyphenoxy)propionate molecular structure lightbox
CAS RN: 96562-58-2

Methyl (R)-(+)-2-(4-Hydroxyphenoxy)propionate

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4 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250820 5g / 25g / 100g / 500g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251209 5g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260701 25g In stock Shanghai Inquiry
Batchno.20250203 5g Out of stock 8-10 business days Inquiry
  • Product code: ICTH0956
  • Purity/Analytical Methods: >98.0%(GC)
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96562-58-2 / methyl 2-(4-hydroxyphenoxy)propanoate

Standard CAS: 96562-58-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96562-58-2
Multi CAS
Yes
Molecular Formula
C10H12O4
Molecular Weight
196.200000
Exact Mass
196.073559
InChI
InChI=1S/C10H12O4/c1-7(10(12)13-2)14-9-5-3-8(11)4-6-9/h3-7,11H,1-2H3
InChIKey
UUYSCNGPNOYZMC-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
1
Molar refractivity
50.21
TPSA
55.76

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
1.9
Consensus LogP
1.47
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-2.97

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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