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CAS 25379-88-8 Methyl 3,4-Dihydroxyphenylacetate molecular structure lightbox
CAS RN: 25379-88-8

Methyl 3,4-Dihydroxyphenylacetate

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260303 1g In stock Inquiry
Batchno.20250817 1g / 5g / 25g / 100g Out of stock 8-10 business days Inquiry
Batchno.20250326 5g In stock Inquiry
  • Product code: SSC-121295
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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: 25g
  • Available purity: ≥98%
  • 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 25379-88-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

25379-88-8 / methyl 2-(3,4-dihydroxyphenyl)acetate

Standard CAS: 25379-88-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25379-88-8
Multi CAS
No
Molecular Formula
C9H10O4
Molecular Weight
182.170000
Exact Mass
182.057909
SMILES
COC(=O)CC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C9H10O4/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4,10-11H,5H2,1H3
InChIKey
UGFILLIGHGZLHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
45.49
TPSA
66.76

LogP / Solubility

WLOGP
0.81
MLOGP
0.71
XLogP3
0.8
Consensus LogP
0.77
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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