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CAS 73793-68-7 Kihadanin B molecular structure lightbox
CAS RN: 73793-68-7

Kihadanin B

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250305 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS73793-68-7
  • Purity/Analytical Methods: >99.0%
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73793-68-7 / (1R,2R,4S,7R,8S,11R,12R,18R)-7-(2-hydroxy-5-oxo-2H-furan-4-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione

Standard CAS: 73793-68-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73793-68-7
Multi CAS
Yes
Molecular Formula
C26H30O9
Molecular Weight
486.500000
Exact Mass
486.188983
InChI
InChI=1S/C26H30O9/c1-22(2)14-11-15(27)25(5)13(23(14,3)8-7-16(28)34-22)6-9-24(4)18(12-10-17(29)32-20(12)30)33-21(31)19-26(24,25)35-19/h7-8,10,13-14,17-19,29H,6,9,11H2,1-5H3/t13-,14+,17?,18+,19-,23-,24+,25+,26-/m1/s1
InChIKey
LUSHRJRLUBDDTB-KNQGVANASA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.69
Rotatable bonds
1
H-bond acceptors
9
H-bond donors
1
Molar refractivity
117.14
TPSA
128.73

LogP / Solubility

WLOGP
1.76
MLOGP
1.58
XLogP3
1.8
Consensus LogP
1.71
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5

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