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CAS 530-56-3 4-HYDROXY-3,5-DIMETHOXYBENZYL ALCOHOL molecular structure lightbox
CAS RN: 530-56-3

4-HYDROXY-3,5-DIMETHOXYBENZYL ALCOHOL

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251023 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250907 10g In stock Shanghai Inquiry
Batchno.20250328 1g In stock Shanghai Inquiry
Batchno.20250116 250mg In stock Shanghai Inquiry
Batchno.20250318 25g In stock Shanghai Inquiry
Batchno.20250502 5g In stock Shanghai Inquiry
Batchno.20251209 5mg / 50mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Guangdong, Chongqing, Shandong Inquiry
  • Product code: starshine_CAS530-56-3
  • Purity/Analytical Methods: >99.0%
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530-56-3 / 4-(hydroxymethyl)-2,6-dimethoxyphenol

Standard CAS: 530-56-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
530-56-3
Multi CAS
No
Molecular Formula
C9H12O4
Molecular Weight
184.190000
Exact Mass
184.073559
InChI
InChI=1S/C9H12O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,10-11H,5H2,1-2H3
InChIKey
LUOAEJWSKPQLJD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.13
TPSA
58.92

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
0.6
Consensus LogP
0.76
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-3.2

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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