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CAS 57423-71-9 physalin F molecular structure lightbox
CAS RN: 57423-71-9

physalin F

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  • Product code: starshine_CAS57423-71-9
  • Purity/Analytical Methods: >99.0%
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57423-71-9 / (2R,4R,6S,11R,12S,15R,18S,20S,21R,23S,26S)-15-hydroxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacont-8-ene-10,16,25,30-tetrone

Standard CAS: 57423-71-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57423-71-9
Multi CAS
Yes
Molecular Formula
C28H30O10
Molecular Weight
526.500000
Exact Mass
526.183897
InChI
InChI=1S/C28H30O10/c1-22-10-17-24(3)28-18(22)19(30)27(38-28,34-11-14(22)20(31)35-17)13-9-16-26(36-16)7-4-5-15(29)23(26,2)12(13)6-8-25(28,33)21(32)37-24/h4-5,12-14,16-18,33H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25-,26+,27+,28-/m0/s1
InChIKey
VSLWNSSUMFSGFF-IFSNGKJOSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.79
H-bond acceptors
10
H-bond donors
1
Molar refractivity
121.84
TPSA
137.96

LogP / Solubility

WLOGP
0.77
MLOGP
0.72
XLogP3
0.1
Consensus LogP
0.53
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly soluble

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
No
Log Kp (skin permeation)
-5.39

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
10

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