CAS RN: 119425-91-1
Loureirin D
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250808 | 5mg / 20mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS119425-91-1
- Purity/Analytical Methods: >99.0%
119425-91-1 / 3-(2,4-dihydroxy-6-methoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one
Loureirin D | 3-(2,4-dihydroxy-6-methoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one | RefChem:1088561
Basic Information
CAS
119425-91-1
Multi CAS
Yes
Molecular Formula
C16H16O5
Molecular Weight
288.290000
Exact Mass
288.099774
SMILES
COC1=CC(=CC(=C1CCC(=O)C2=CC=C(C=C2)O)O)O
InChI
InChI=1S/C16H16O5/c1-21-16-9-12(18)8-15(20)13(16)6-7-14(19)10-2-4-11(17)5-3-10/h2-5,8-9,17-18,20H,6-7H2,1H3
InChIKey
AQMBVNGTZRFEPF-UHFFFAOYSA-N
Synonyms
Loureirin D
3-(2,4-dihydroxy-6-methoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one
RefChem:1088561
1-Propanone, 3-(2,4-dihydroxy-6-methoxyphenyl)-1-(4-hydroxyphenyl)-
CHEMBL400281
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
77.08
TPSA
86.99
LogP / Solubility
WLOGP
2.63
MLOGP
2.32
XLogP3
2.4
Consensus LogP
2.45
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
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)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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