[email protected]
CAS 99217-64-8 Kushenol B molecular structure lightbox
CAS RN: 99217-64-8

Kushenol B

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260226 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS99217-64-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

99217-64-8 / 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one

Standard CAS: 99217-64-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99217-64-8
Multi CAS
Yes
Molecular Formula
C30H36O6
Molecular Weight
492.600000
Exact Mass
492.251189
InChI
InChI=1S/C30H36O6/c1-16(2)7-9-19(18(5)6)13-23-28(34)22(11-8-17(3)4)29(35)27-25(33)15-26(36-30(23)27)21-12-10-20(31)14-24(21)32/h7-8,10,12,14,19,26,31-32,34-35H,5,9,11,13,15H2,1-4,6H3/t19-,26+/m1/s1
InChIKey
CDNAGJNJVFLMRS-BCHFMIIMSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
4
Molar refractivity
141.05
TPSA
107.22

LogP / Solubility

WLOGP
6.82
MLOGP
6.03
XLogP3
7.7
Consensus LogP
6.85
Log S (ESOL)
-6.91
Class (ESOL)
Insoluble
Log S (Ali)
-8.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.48
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us