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CAS 71301-98-9 Ethyl (R)-(+)-2-(4-hydroxyphenoxy)propionate molecular structure lightbox
CAS RN: 71301-98-9

Ethyl (R)-(+)-2-(4-hydroxyphenoxy)propionate

Product Availability

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250220 5g / 25g / 100g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS71301-98-9
  • Purity/Analytical Methods: >99.0%
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71301-98-9 / ethyl 2-(4-hydroxyphenoxy)propanoate

Standard CAS: 71301-98-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71301-98-9
Multi CAS
Yes
Molecular Formula
C11H14O4
Molecular Weight
210.230000
Exact Mass
210.089209
InChI
InChI=1S/C11H14O4/c1-3-14-11(13)8(2)15-10-6-4-9(12)5-7-10/h4-8,12H,3H2,1-2H3/t8-/m1/s1
InChIKey
ILYSHPJWNMPBPE-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.83
TPSA
55.76

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
2.2
Consensus LogP
1.81
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.78

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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