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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
909-84-2 / 6,7-bis(phenylmethoxy)chromen-2-one
Basic Information
CAS
909-84-2
Multi CAS
Yes
Molecular Formula
C23H18O4
Molecular Weight
358.400000
Exact Mass
358.120509
InChI
InChI=1S/C23H18O4/c24-23-12-11-19-13-21(25-15-17-7-3-1-4-8-17)22(14-20(19)27-23)26-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKey
GTUPSBQDBMSQTH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
22
Fraction Csp3
0.09
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
104.03
TPSA
48.67
LogP / Solubility
WLOGP
4.95
MLOGP
4.38
XLogP3
4.8
Consensus LogP
4.71
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.82
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
