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CAS 19037-58-2 (3,5-DIMETHOXY-4-HYDROXYPHENYL)ACETONE molecular structure lightbox
CAS RN: 19037-58-2

(3,5-DIMETHOXY-4-HYDROXYPHENYL)ACETONE

  • Product code: SSC-089131
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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: 0.25g
  • Available purity: ≥95%
  • 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 19037-58-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

19037-58-2 / 1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one

Standard CAS: 19037-58-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19037-58-2
Multi CAS
No
Molecular Formula
C11H14O4
Molecular Weight
210.230000
Exact Mass
210.089209
SMILES
CC(=O)CC1=CC(=C(C(=C1)OC)O)OC
InChI
InChI=1S/C11H14O4/c1-7(12)4-8-5-9(14-2)11(13)10(6-8)15-3/h5-6,13H,4H2,1-3H3
InChIKey
JFWTZKQUFCDLNG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.6
TPSA
55.76

LogP / Solubility

WLOGP
1.54
MLOGP
1.36
XLogP3
1.1
Consensus LogP
1.33
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.91

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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