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CAS 98665-11-3 Methyl ganoderate H molecular structure lightbox
CAS RN: 98665-11-3

Methyl ganoderate H

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250802 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS98665-11-3
  • Purity/Analytical Methods: >99.0%
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98665-11-3 / methyl (6R)-6-[(3S,5R,10S,12S,13R,14R,17R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate

Standard CAS: 98665-11-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98665-11-3
Multi CAS
Yes
Molecular Formula
C33H46O9
Molecular Weight
586.700000
Exact Mass
586.314183
InChI
InChI=1S/C33H46O9/c1-16(12-19(35)13-17(2)29(40)41-9)20-14-24(38)33(8)25-21(36)15-22-30(4,5)23(37)10-11-31(22,6)26(25)27(39)28(32(20,33)7)42-18(3)34/h16-17,20,22-23,28,37H,10-15H2,1-9H3/t16-,17?,20-,22+,23+,28-,31+,32+,33+/m1/s1
InChIKey
KXYWXCIDKNDYTK-RRHNHSKDSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Fraction Csp3
0.76
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
1
Molar refractivity
151.74
TPSA
141.11

LogP / Solubility

WLOGP
3.97
MLOGP
3.54
XLogP3
2.9
Consensus LogP
3.47
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9

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