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CAS 5273-86-9 BETA-ASARONE molecular structure lightbox
CAS RN: 5273-86-9

BETA-ASARONE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250502 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260429 1g In stock Shanghai Inquiry
Batchno.20260615 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250912 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS5273-86-9
  • Purity/Analytical Methods: >99.0%
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5273-86-9 / 1,2,4-trimethoxy-5-prop-1-enylbenzene

Standard CAS: 5273-86-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5273-86-9
Multi CAS
Yes
Molecular Formula
C12H16O3
Molecular Weight
208.250000
Exact Mass
208.109944
InChI
InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5-
InChIKey
RKFAZBXYICVSKP-WAYWQWQTSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
60.81
TPSA
27.69

LogP / Solubility

WLOGP
2.75
MLOGP
2.42
XLogP3
3
Consensus LogP
2.72
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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