CAS RN: 7241-98-7

AFLATOXIN G2

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  • Product code: starshine_CAS7241-98-7
  • Purity/Analytical Methods: >99.0%
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7241-98-7 / 11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,9,11,13(18)-tetraene-17,19-dione

Standard CAS: 7241-98-7 Multi CAS: Yes

Basic Information

CAS
7241-98-7
Multi CAS
Yes
Molecular Formula
C17H14O7
Molecular Weight
330.290000
Exact Mass
330.073953
InChI
InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1
InChIKey
WPCVRWVBBXIRMA-WNWIJWBNSA-N

Physical Properties

Melting Point
237 - 240 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.41
Rotatable bonds
1
H-bond acceptors
7
Molar refractivity
80.75
TPSA
84.2

LogP / Solubility

WLOGP
1.74
MLOGP
1.54
XLogP3
1.5
Consensus LogP
1.59
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5

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