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CAS 25173-72-2 3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID molecular structure lightbox
CAS RN: 25173-72-2

3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251007 100g In stock Inquiry
Batchno.20250527 25g In stock Inquiry
Batchno.20251112 5g In stock Inquiry
Batchno.20251108 5g / 25g / 50g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-120835
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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: 100g
  • Available purity: ≥97%
  • 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 25173-72-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

25173-72-2 / 3-(3,4,5-trimethoxyphenyl)propanoic acid

Standard CAS: 25173-72-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
25173-72-2
Multi CAS
No
Molecular Formula
C12H16O5
Molecular Weight
240.250000
Exact Mass
240.099774
SMILES
COC1=CC(=CC(=C1OC)OC)CCC(=O)O
InChI
InChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKey
ZCYXGVJUZBKJAI-UHFFFAOYSA-N

Physical Properties

Melting Point
102 - 103 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.05
TPSA
64.99

LogP / Solubility

WLOGP
1.73
MLOGP
1.53
XLogP3
1.2
Consensus LogP
1.49
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly 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)
-2.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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