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CAS 18525-14-9 2-[(1R)-1-(2,4,5-Trimethoxyphenyl)-2-propenyl]phenol molecular structure lightbox
CAS RN: 18525-14-9

2-[(1R)-1-(2,4,5-Trimethoxyphenyl)-2-propenyl]phenol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250920 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS18525-14-9
  • Purity/Analytical Methods: >99.0%
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18525-14-9 / 2-[(1R)-1-(2,4,5-trimethoxyphenyl)prop-2-enyl]phenol

Standard CAS: 18525-14-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18525-14-9
Multi CAS
No
Molecular Formula
C18H20O4
Molecular Weight
300.300000
Exact Mass
300.136159
SMILES
COC1=CC(=C(C=C1[C@H](C=C)C2=CC=CC=C2O)OC)OC
InChI
InChI=1S/C18H20O4/c1-5-12(13-8-6-7-9-15(13)19)14-10-17(21-3)18(22-4)11-16(14)20-2/h5-12,19H,1H2,2-4H3
InChIKey
NKFNPUQSPATHPN-UHFFFAOYSA-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
H-bond donors
1
Molar refractivity
86.24
TPSA
47.92

LogP / Solubility

WLOGP
3.74
MLOGP
3.3
XLogP3
4
Consensus LogP
3.68
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
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)
-1.9

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
3

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