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CAS 18362-51-1 1,3-Bis(4-methoxyphenyl)-1,3-propanedione molecular structure lightbox
CAS RN: 18362-51-1

1,3-Bis(4-methoxyphenyl)-1,3-propanedione

  • Product code: SSC-084947
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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: 1g, 5g, 10g, 25g
  • Available purity: >98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 18362-51-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 1 In Stock Beijing Inquiry
5g >98% 1 In Stock Hong Kong Inquiry
10g >98% 0 Out of Stock Beijing Inquiry
25g >98% 0 Out of Stock Shenzhen Inquiry

18362-51-1 / 1,3-bis(4-methoxyphenyl)propane-1,3-dione

Standard CAS: 18362-51-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18362-51-1
Multi CAS
No
Molecular Formula
C17H16O4
Molecular Weight
284.310000
Exact Mass
284.104859
SMILES
COC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C17H16O4/c1-20-14-7-3-12(4-8-14)16(18)11-17(19)13-5-9-15(21-2)10-6-13/h3-10H,11H2,1-2H3
InChIKey
GNMDORSUZRRMFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
79.27
TPSA
52.6

LogP / Solubility

WLOGP
3.16
MLOGP
2.79
XLogP3
3.1
Consensus LogP
3.02
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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