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CAS 79559-60-7 7-(4”-hydroxy-3”-methoxyphenyl)-1-phenyl-4E-heptene-3-one molecular structure lightbox
CAS RN: 79559-60-7

7-(4”-hydroxy-3”-methoxyphenyl)-1-phenyl-4E-heptene-3-one

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260126 20mg Out of stock 8-10 business days Inquiry
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  • Product code: starshine_CAS79559-60-7
  • Purity/Analytical Methods: >99.0%
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79559-60-7 / 7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one

Standard CAS: 79559-60-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
79559-60-7
Multi CAS
Yes
Molecular Formula
C20H22O3
Molecular Weight
310.400000
Exact Mass
310.156895
InChI
InChI=1S/C20H22O3/c1-23-20-15-17(12-14-19(20)22)9-5-6-10-18(21)13-11-16-7-3-2-4-8-16/h2-4,6-8,10,12,14-15,22H,5,9,11,13H2,1H3/b10-6+
InChIKey
NOHMOWQGVDSLNY-UXBLZVDNSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
91.89
TPSA
46.53

LogP / Solubility

WLOGP
4.09
MLOGP
3.61
XLogP3
3.5
Consensus LogP
3.73
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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