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CAS 93550-94-8 Euphorbia factor L7a molecular structure lightbox
CAS RN: 93550-94-8

Euphorbia factor L7a

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  • Product code: starshine_CAS93550-94-8
  • Purity/Analytical Methods: >99.0%
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93550-94-8 / [1-acetyloxy-10-(acetyloxymethyl)-3,6,6,14-tetramethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] 3-phenylprop-2-enoate

Standard CAS: 93550-94-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
93550-94-8
Multi CAS
Yes
Molecular Formula
C33H40O7
Molecular Weight
548.700000
Exact Mass
548.277404
InChI
InChI=1S/C33H40O7/c1-20-16-27-26(32(27,5)6)14-12-25(19-38-22(3)34)17-28-30(21(2)18-33(28,31(20)37)40-23(4)35)39-29(36)15-13-24-10-8-7-9-11-24/h7-11,13,15-17,21,26-28,30H,12,14,18-19H2,1-6H3
InChIKey
NMTNFTPLDSEWKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
150.6
TPSA
95.97

LogP / Solubility

WLOGP
5.64
MLOGP
5.01
XLogP3
5.7
Consensus LogP
5.45
Log S (ESOL)
-6.51
Class (ESOL)
Insoluble
Log S (Ali)
-8.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.63
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)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9

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