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CAS 207446-89-7 Arteannuin L molecular structure lightbox
CAS RN: 207446-89-7

Arteannuin L

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250827 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS207446-89-7
  • Purity/Analytical Methods: >99.0%
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207446-89-7 / (3R,3aS,6R,6aS,10R,10aS)-10-hydroxy-3,6-dimethyl-9-methylidene-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h][1]benzofuran-2-one

Standard CAS: 207446-89-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207446-89-7
Multi CAS
No
Molecular Formula
C15H22O3
Molecular Weight
250.330000
Exact Mass
250.156895
SMILES
C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@@]23[C@H]1CCC(=C)[C@H]3O)C
InChI
InChI=1S/C15H22O3/c1-8-4-7-12-10(3)14(17)18-15(12)11(8)6-5-9(2)13(15)16/h8,10-13,16H,2,4-7H2,1,3H3/t8-,10-,11+,12+,13-,15+/m1/s1
InChIKey
PJCCSJGLHBNKPR-JZIIGSACSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.75
TPSA
46.53

LogP / Solubility

WLOGP
2.29
MLOGP
2.02
XLogP3
2.3
Consensus LogP
2.2
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5.5

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