CAS RN: 1205548-00-0
4′-DiMethylaMino 7,8-Dihydroxyflavone HydrobroMide
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.20251212 | 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1205548-00-0
- Purity/Analytical Methods: >99.0%
1205548-00-0 / 2-[4-(dimethylamino)phenyl]-7,8-dihydroxychromen-4-one
2-(4-(Dimethylamino)phenyl)-7,8-dihydroxy-4H-chromen-4-one | RefChem:139591 | Eutropoflavin
Basic Information
CAS
1205548-00-0
Multi CAS
Yes
Molecular Formula
C17H15NO4
Molecular Weight
297.300000
Exact Mass
297.100108
SMILES
CN(C)C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3)O)O
InChI
InChI=1S/C17H15NO4/c1-18(2)11-5-3-10(4-6-11)15-9-14(20)12-7-8-13(19)16(21)17(12)22-15/h3-9,19,21H,1-2H3
InChIKey
YPAYCZOHGRSGJS-UHFFFAOYSA-N
Synonyms
2-(4-(Dimethylamino)phenyl)-7,8-dihydroxy-4H-chromen-4-one
RefChem:139591
Eutropoflavin
4'-Dimethylamino 7,8-Dihydroxyflavone
2-[4-(dimethylamino)phenyl]-7,8-dihydroxychromen-4-one
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
85.58
TPSA
73.91
LogP / Solubility
WLOGP
2.94
MLOGP
2.6
XLogP3
2.6
Consensus LogP
2.71
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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