Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
529-44-2 / 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Basic Information
CAS
529-44-2
Multi CAS
Yes
Molecular Formula
C15H10O8
Molecular Weight
318.230000
Exact Mass
318.037567
InChI
InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
InChIKey
IKMDFBPHZNJCSN-UHFFFAOYSA-N
Physical Properties
Melting Point
357 °C
Physical Description
Solid
Appearance
Yellow needles from dilute alcohol
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
8
H-bond donors
6
Molar refractivity
77.91
TPSA
151.59
LogP / Solubility
WLOGP
1.69
MLOGP
1.5
XLogP3
1.2
Consensus LogP
1.46
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
-
7-Methoxyflavone
- CAS RN: 22395-22-8
- Product Code: ICTM1423
- Purity/Analytical method: >98.0%(GC)
-
-
