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CAS 68622-73-1 (5R)-5-hydroxy-7-(4”-hydroxy-3”-methoxyphenyl)-1-phenyl-3-heptanone molecular structure lightbox
CAS RN: 68622-73-1

(5R)-5-hydroxy-7-(4”-hydroxy-3”-methoxyphenyl)-1-phenyl-3-heptanone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250907 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS68622-73-1
  • Purity/Analytical Methods: >99.0%
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68622-73-1 / (5R)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylheptan-3-one

Standard CAS: 68622-73-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68622-73-1
Multi CAS
Yes
Molecular Formula
C20H24O4
Molecular Weight
328.400000
Exact Mass
328.167459
InChI
InChI=1S/C20H24O4/c1-24-20-13-16(9-12-19(20)23)8-11-18(22)14-17(21)10-7-15-5-3-2-4-6-15/h2-6,9,12-13,18,22-23H,7-8,10-11,14H2,1H3/t18-/m1/s1
InChIKey
JHJPDDBIHSFERA-GOSISDBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
93.37
TPSA
66.76

LogP / Solubility

WLOGP
3.29
MLOGP
2.91
XLogP3
3.1
Consensus LogP
3.1
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
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)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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