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CAS 207446-90-0 Arteannuin M molecular structure lightbox
CAS RN: 207446-90-0

Arteannuin M

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250215 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS207446-90-0
  • Purity/Analytical Methods: >99.0%
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207446-90-0 / (3R,3aS,6R,6aS,9R,10R,10aS)-9,10-dihydroxy-3,6,9-trimethyl-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h][1]benzofuran-2-one

Standard CAS: 207446-90-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207446-90-0
Multi CAS
No
Molecular Formula
C15H24O4
Molecular Weight
268.350000
Exact Mass
268.167459
SMILES
C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@@]23[C@H]1CC[C@@]([C@H]3O)(C)O)C
InChI
InChI=1S/C15H24O4/c1-8-4-5-11-9(2)12(16)19-15(11)10(8)6-7-14(3,18)13(15)17/h8-11,13,17-18H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15+/m1/s1
InChIKey
FONFQQKKCDVNRC-GZEPNZDPSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.93
H-bond acceptors
4
H-bond donors
2
Molar refractivity
69.23
TPSA
66.76

LogP / Solubility

WLOGP
1.49
MLOGP
1.32
XLogP3
1.7
Consensus LogP
1.5
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6

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