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CAS 151487-08-0 Ampelopsin F molecular structure lightbox
CAS RN: 151487-08-0

Ampelopsin F

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250716 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS151487-08-0
  • Purity/Analytical Methods: >99.0%
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151487-08-0 / (1R,8R,9S,16R)-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene-4,6,12,14-tetrol

Standard CAS: 151487-08-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151487-08-0
Multi CAS
No
Molecular Formula
C28H22O6
Molecular Weight
454.500000
Exact Mass
454.141638
SMILES
C1=CC(=CC=C1[C@@H]2[C@H]3[C@@H](C4=C([C@@H]2C5=C3C=C(C=C5O)O)C=C(C=C4O)O)C6=CC=C(C=C6)O)O
InChI
InChI=1S/C28H22O6/c29-15-5-1-13(2-6-15)23-25-19(9-17(31)11-21(25)33)28-24(14-3-7-16(30)8-4-14)27(23)20-10-18(32)12-22(34)26(20)28/h1-12,23-24,27-34H/t23-,24?,27+,28-/m0/s1
InChIKey
LJHNYAXAPRDORG-VVAYZPMTSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
6
Molar refractivity
124.92
TPSA
121.38

LogP / Solubility

WLOGP
5.08
MLOGP
4.5
XLogP3
4.6
Consensus LogP
4.73
Log S (ESOL)
-6.25
Class (ESOL)
Insoluble
Log S (Ali)
-6.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.89

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
8

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