CAS RN: 55084-08-7
NEOBAICALEIN, Analytical reference
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260317 | 20mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINN889723
55084-08-7 / 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxychromen-4-one
Basic Information
CAS
55084-08-7
Multi CAS
Yes
Molecular Formula
C19H18O8
Molecular Weight
374.300000
Exact Mass
374.100168
InChI
InChI=1S/C19H18O8/c1-23-11-7-5-6-9(20)13(11)12-8-10(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3
InChIKey
GMQFOKBGMKVUQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
2
Molar refractivity
97.46
TPSA
107.59
LogP / Solubility
WLOGP
2.91
MLOGP
2.58
XLogP3
2.9
Consensus LogP
2.8
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
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
Yes
Log Kp (skin permeation)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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