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CAS 14813-19-5 4H-1-Benzopyran-4-one, 2-(2,6-dimethoxyphenyl)-5,6-dimethoxy- molecular structure lightbox
CAS RN: 14813-19-5

4H-1-Benzopyran-4-one, 2-(2,6-dimethoxyphenyl)-5,6-dimethoxy-

  • Product code: SSC-058539
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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: 1g
  • 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 14813-19-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

14813-19-5 / 2-(2,6-dimethoxyphenyl)-5,6-dimethoxychromen-4-one

Standard CAS: 14813-19-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
14813-19-5
Multi CAS
No
Molecular Formula
C19H18O6
Molecular Weight
342.300000
Exact Mass
342.110338
SMILES
COC1=C(C(=CC=C1)OC)C2=CC(=O)C3=C(O2)C=CC(=C3OC)OC
InChI
InChI=1S/C19H18O6/c1-21-12-6-5-7-13(22-2)18(12)16-10-11(20)17-14(25-16)8-9-15(23-3)19(17)24-4/h5-10H,1-4H3
InChIKey
PBQMALAAFQMDSP-UHFFFAOYSA-N

Physical Properties

Melting Point
150 - 151 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
94.13
TPSA
67.13

LogP / Solubility

WLOGP
3.49
MLOGP
3.09
XLogP3
3.1
Consensus LogP
3.23
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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