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CAS 2475-56-1 2-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)-propanoic acid molecular structure lightbox
CAS RN: 2475-56-1

2-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)-propanoic acid

  • Product code: SSC-119804
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2475-56-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2475-56-1 / 2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid

Standard CAS: 2475-56-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2475-56-1
Multi CAS
No
Molecular Formula
C10H12O5
Molecular Weight
212.200000
Exact Mass
212.068473
SMILES
COC1=C(C=CC(=C1)CC(C(=O)O)O)O
InChI
InChI=1S/C10H12O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,8,11-12H,4H2,1H3,(H,13,14)
InChIKey
SVYIZYRTOYHQRE-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
52.01
TPSA
86.99

LogP / Solubility

WLOGP
0.39
MLOGP
0.34
XLogP3
0.1
Consensus LogP
0.28
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.74

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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