CAS RN: 119425-90-0
LOUREIRIN B
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260314 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS119425-90-0
- Purity/Analytical Methods: >99.0%
119425-90-0 / 1-(4-hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-one
Loureirin B | 1-(4-hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-one | P47L69798O
Basic Information
CAS
119425-90-0
Multi CAS
Yes
Molecular Formula
C18H20O5
Molecular Weight
316.300000
Exact Mass
316.131074
SMILES
COC1=CC(=C(C(=C1)OC)CCC(=O)C2=CC=C(C=C2)O)OC
InChI
InChI=1S/C18H20O5/c1-21-14-10-17(22-2)15(18(11-14)23-3)8-9-16(20)12-4-6-13(19)7-5-12/h4-7,10-11,19H,8-9H2,1-3H3
InChIKey
ZPFRAPVRYLGYEC-UHFFFAOYSA-N
Synonyms
Loureirin B
1-(4-hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-one
P47L69798O
RefChem:154137
1-Propanone, 1-(4-hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)-
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
86.86
TPSA
64.99
LogP / Solubility
WLOGP
3.23
MLOGP
2.86
XLogP3
3.1
Consensus LogP
3.06
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
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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