CAS RN: 1036-72-2
5,7-DIMETHOXYFLAVANONE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251110 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS1036-72-2
- Purity/Analytical Methods: >99.0%
1036-72-2 / 5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
5,7-Dimethoxyflavanone | 5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one | RefChem:935833
Basic Information
CAS
1036-72-2
Multi CAS
Yes
Molecular Formula
C17H16O4
Molecular Weight
284.310000
Exact Mass
284.104859
SMILES
COC1=CC2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)OC
InChI
InChI=1S/C17H16O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-9,14H,10H2,1-2H3
InChIKey
IAFBOKYTDSDNHV-UHFFFAOYSA-N
Synonyms
5,7-Dimethoxyflavanone
5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
RefChem:935833
GlyTouCan:G84450LE
G84450LE
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
78.3
TPSA
44.76
LogP / Solubility
WLOGP
3.41
MLOGP
3.01
XLogP3
2.8
Consensus LogP
3.07
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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