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CAS 94709-12-3 (3,5-DIMETHOXYPHENYL)(4-METHOXYPHENYL)-METHANONE molecular structure lightbox
CAS RN: 94709-12-3

(3,5-DIMETHOXYPHENYL)(4-METHOXYPHENYL)-METHANONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260519 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS94709-12-3
  • Purity/Analytical Methods: >99.0%
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94709-12-3 / (3,5-dimethoxyphenyl)-(4-methoxyphenyl)methanone

Standard CAS: 94709-12-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
94709-12-3
Multi CAS
No
Molecular Formula
C16H16O4
Molecular Weight
272.290000
Exact Mass
272.104859
InChI
InChI=1S/C16H16O4/c1-18-13-6-4-11(5-7-13)16(17)12-8-14(19-2)10-15(9-12)20-3/h4-10H,1-3H3
InChIKey
ZICXUWQPVOZNHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
75.97
TPSA
44.76

LogP / Solubility

WLOGP
2.94
MLOGP
2.6
XLogP3
3.2
Consensus LogP
2.91
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.47
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)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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