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CAS 59092-88-5 (2R)-2-(4-Hydroxyphenyl)propionic acid, (R)-(4-Hydroxyphenyl)(methyl)acetic acid, 4-[(1R)-1-Carboxyethyl]phenol molecular structure lightbox
CAS RN: 59092-88-5

(2R)-2-(4-Hydroxyphenyl)propionic acid, (R)-(4-Hydroxyphenyl)(methyl)acetic acid, 4-[(1R)-1-Carboxyethyl]phenol

  • Product code: SSC-167480
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 59092-88-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 5 In Stock Beijing Inquiry
0.25g ≥97% 5 In Stock Beijing Inquiry
1g ≥97% 2 In Stock Shanghai Inquiry
5g ≥97% 1 In Stock Beijing Inquiry

59092-88-5 / 2-(4-hydroxyphenyl)propanoic acid

Standard CAS: 59092-88-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59092-88-5
Multi CAS
Yes
Molecular Formula
C9H10O3
Molecular Weight
166.170000
Exact Mass
166.062994
InChI
InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12)/t6-/m1/s1
InChIKey
ZHMMPVANGNPCBW-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.16
TPSA
57.53

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
1.6
Consensus LogP
1.52
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-2.61

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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