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CAS 28030-15-1 BENZENEPROPANOIC ACID, A-HYDROXY-4-METHOXY- molecular structure lightbox
CAS RN: 28030-15-1

BENZENEPROPANOIC ACID, A-HYDROXY-4-METHOXY-

  • Product code: SSC-128611
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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: 0.25g
  • 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 28030-15-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

28030-15-1 / 2-hydroxy-3-(4-methoxyphenyl)propanoic acid

Standard CAS: 28030-15-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
28030-15-1
Multi CAS
No
Molecular Formula
C10H12O4
Molecular Weight
196.200000
Exact Mass
196.073559
InChI
InChI=1S/C10H12O4/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)
InChIKey
GEDLJGYFEOYKEG-UHFFFAOYSA-N

Physical Properties

Melting Point
104 - 105 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.34
TPSA
66.76

LogP / Solubility

WLOGP
0.68
MLOGP
0.6
XLogP3
1.1
Consensus LogP
0.79
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-3.43

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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