CAS RN: 24144-92-1

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Batchno.20260513 100mg In stock Shanghai Inquiry
Batchno.20250909 1g In stock Tianjin Inquiry
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  • Product code: starshine_CAS24144-92-1
  • Purity/Analytical Methods: >99.0%
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24144-92-1 / 1-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene

Standard CAS: 24144-92-1 Multi CAS: No

Basic Information

CAS
24144-92-1
Multi CAS
No
Molecular Formula
C18H20O4
Molecular Weight
300.300000
Exact Mass
300.136159
SMILES
COC1=CC(=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC)OC
InChI
InChI=1S/C18H20O4/c1-19-15-8-7-14(18(12-15)22-4)6-5-13-9-16(20-2)11-17(10-13)21-3/h5-12H,1-4H3/b6-5+
InChIKey
JDBCWSHYEQUBLW-AATRIKPKSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
88.02
TPSA
36.92

LogP / Solubility

WLOGP
3.89
MLOGP
3.44
XLogP3
4.1
Consensus LogP
3.81
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
Class (SILICOS-IT)
Slightly soluble

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)
-1.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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