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CAS 78536-37-5 excisanin A molecular structure lightbox
CAS RN: 78536-37-5

excisanin A

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2 package records0 with current stock2 grade groups
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Batchno.20250108 5mg Out of stock 15 business days Inquiry
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Batchno.20251214 5mg Out of stock Inquiry
  • Product code: starshine_CAS78536-37-5
  • Purity/Analytical Methods: >99.0%
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78536-37-5 / (2R,4R,8S,9R,10S,12S,16S)-2,8,12,16-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one

Standard CAS: 78536-37-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78536-37-5
Multi CAS
Yes
Molecular Formula
C20H30O5
Molecular Weight
350.400000
Exact Mass
350.209324
InChI
InChI=1S/C20H30O5/c1-9-15-10(21)7-12-19(4)11(18(2,3)6-5-13(19)22)8-14(23)20(12,16(9)24)17(15)25/h10-15,17,21-23,25H,1,5-8H2,2-4H3/t10-,11+,12-,13-,14+,15+,17+,19+,20-/m0/s1
InChIKey
NFENNPKUXFGPST-WEMBNSTNSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.85
H-bond acceptors
5
H-bond donors
4
Molar refractivity
91.43
TPSA
97.99

LogP / Solubility

WLOGP
1.04
MLOGP
0.93
XLogP3
0.9
Consensus LogP
0.96
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately 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)
-4.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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