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CAS 36061-18-4 Farfugin A molecular structure lightbox
CAS RN: 36061-18-4

Farfugin A

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Batchno.20250429 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS36061-18-4
  • Purity/Analytical Methods: >99.0%
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36061-18-4 / 3,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[g][1]benzofuran

Standard CAS: 36061-18-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36061-18-4
Multi CAS
Yes
Molecular Formula
C15H18O
Molecular Weight
214.300000
Exact Mass
214.135765
InChI
InChI=1S/C15H18O/c1-9-5-4-6-12-10(2)7-13-11(3)8-16-15(13)14(9)12/h7-9H,4-6H2,1-3H3
InChIKey
LBXSOZAXYXJJLL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.47
H-bond acceptors
1
Molar refractivity
67.04
TPSA
13.14

LogP / Solubility

WLOGP
4.49
MLOGP
3.95
XLogP3
4.8
Consensus LogP
4.41
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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