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CAS 51020-86-1 licarin A molecular structure lightbox
CAS RN: 51020-86-1

licarin A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251226 5mg / 10mg / 25mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS51020-86-1
  • Purity/Analytical Methods: >99.0%
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51020-86-1 / 2-methoxy-4-(7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol

Standard CAS: 51020-86-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51020-86-1
Multi CAS
Yes
Molecular Formula
C20H22O4
Molecular Weight
326.400000
Exact Mass
326.151809
InChI
InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m1/s1
InChIKey
ITDOFWOJEDZPCF-OTBILJLCSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
94.14
TPSA
47.92

LogP / Solubility

WLOGP
4.68
MLOGP
4.13
XLogP3
4.4
Consensus LogP
4.4
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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