CAS RN: 113981-49-0
5-Hydroxy-7,8-diMethoxyflavanone
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.20250828 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS113981-49-0
- Purity/Analytical Methods: >99.0%
113981-49-0 / (2S)-5-hydroxy-7,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
5-hydroxy-7,8-dimethoxyflavanone | RefChem:1073004 | 5-hydroxy-7,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
Basic Information
CAS
113981-49-0
Multi CAS
Yes
Molecular Formula
C17H16O5
Molecular Weight
300.300000
Exact Mass
300.099774
SMILES
COC1=C(C2=C(C(=O)C[C@H](O2)C3=CC=CC=C3)C(=C1)O)OC
InChI
InChI=1S/C17H16O5/c1-20-14-9-12(19)15-11(18)8-13(10-6-4-3-5-7-10)22-17(15)16(14)21-2/h3-7,9,13,19H,8H2,1-2H3/t13-/m0/s1
InChIKey
VPGMCCIECGDASG-ZDUSSCGKSA-N
Synonyms
5-hydroxy-7,8-dimethoxyflavanone
RefChem:1073004
5-hydroxy-7,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
orb1683436
CHEMBL1082119
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
79.97
TPSA
64.99
LogP / Solubility
WLOGP
3.12
MLOGP
2.75
XLogP3
3
Consensus LogP
2.96
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
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)
-2.34
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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- CAS RN: 114014-15-2
- Product Code: starshine_CAS114014-15-2
- Purity/Analytical method: >99.0%
