CAS RN: 530-57-4
Syringic Acid
Product Availability
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5 package records4 with current stock1 grade group
- Product code: SSC-160168
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 10g, 25g, 100g
- Available purity: ≥96%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
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530-57-4 / 4-hydroxy-3,5-dimethoxybenzoic acid
Basic Information
CAS
530-57-4
Multi CAS
Yes
Molecular Formula
C9H10O5
Molecular Weight
198.170000
Exact Mass
198.052823
InChI
InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)
InChIKey
JMSVCTWVEWCHDZ-UHFFFAOYSA-N
Physical Properties
Melting Point
206 - 209 °C
Boiling Point
440.00 °C. @ 760.00 mm Hg
Physical Description
Light brown powder;
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.17
TPSA
75.99
LogP / Solubility
WLOGP
1.11
MLOGP
0.97
XLogP3
1
Consensus LogP
1.03
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately 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)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
