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CAS 4319-02-2 3,5-DIHYDROXY-4-METHOXYBENZOIC ACID molecular structure lightbox
CAS RN: 4319-02-2

3,5-DIHYDROXY-4-METHOXYBENZOIC ACID

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250610 20mg In stock Shanghai Inquiry
  • Product code: starshine_CAS4319-02-2
  • Purity/Analytical Methods: >99.0%
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4319-02-2 / 3,5-dihydroxy-4-methoxybenzoic acid

Standard CAS: 4319-02-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4319-02-2
Multi CAS
Yes
Molecular Formula
C8H8O5
Molecular Weight
184.150000
Exact Mass
184.037173
InChI
InChI=1S/C8H8O5/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,9-10H,1H3,(H,11,12)
InChIKey
UBXDWYFLYYJQFR-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
43.28
TPSA
86.99

LogP / Solubility

WLOGP
0.8
MLOGP
0.71
XLogP3
1
Consensus LogP
0.84
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-3.27

Drug-likeness / Medicinal Chemistry

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

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