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CAS 76376-43-7 Euphorbia factor L1 molecular structure lightbox
CAS RN: 76376-43-7

Euphorbia factor L1

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  • Product code: starshine_CAS76376-43-7
  • Purity/Analytical Methods: >99.0%
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76376-43-7 / [(1'R,2S,3'E,5'R,7'S,11'R,12'R,13'S,14'S)-1',11'-diacetyloxy-3',6',6',14'-tetramethyl-2'-oxospiro[oxirane-2,10'-tricyclo[10.3.0.05,7]pentadec-3-ene]-13'-yl] 2-phenylacetate

Standard CAS: 76376-43-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76376-43-7
Multi CAS
Yes
Molecular Formula
C32H40O8
Molecular Weight
552.700000
Exact Mass
552.272318
InChI
InChI=1S/C32H40O8/c1-18-14-24-23(30(24,5)6)12-13-31(17-37-31)29(38-20(3)33)26-27(39-25(35)15-22-10-8-7-9-11-22)19(2)16-32(26,28(18)36)40-21(4)34/h7-11,14,19,23-24,26-27,29H,12-13,15-17H2,1-6H3/b18-14+/t19-,23-,24+,26+,27-,29+,31-,32+/m0/s1
InChIKey
SDGDWRYYHQOQOJ-QZVJJNCDSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
8
Molar refractivity
144.79
TPSA
108.5

LogP / Solubility

WLOGP
4.38
MLOGP
3.9
XLogP3
4.7
Consensus LogP
4.33
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.49
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.98

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
10

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