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CAS 257301-36-3 Platyphyllonol molecular structure lightbox
CAS RN: 257301-36-3

Platyphyllonol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250524 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS257301-36-3
  • Purity/Analytical Methods: >99.0%
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257301-36-3 / (5R)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one

Standard CAS: 257301-36-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
257301-36-3
Multi CAS
No
Molecular Formula
C19H22O4
Molecular Weight
314.400000
Exact Mass
314.151809
SMILES
C1=CC(=CC=C1CC[C@H](CC(=O)CCC2=CC=C(C=C2)O)O)O
InChI
InChI=1S/C19H22O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18,20-22H,5-6,11-13H2/t18-/m1/s1
InChIKey
ZBFSUZGUYFFWGY-GOSISDBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
3
Molar refractivity
88.49
TPSA
77.76

LogP / Solubility

WLOGP
2.98
MLOGP
2.64
XLogP3
2.8
Consensus LogP
2.81
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
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)
-2.52

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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