CAS RN: 65615-23-8
3H-2-Benzopyran-3-one, 1,4-dihydro-8-methoxy-7-(phenylmethoxy)-
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.20260110 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS65615-23-8
- Purity/Analytical Methods: >99.0%
65615-23-8 / 8-methoxy-7-phenylmethoxy-1,4-dihydroisochromen-3-one
Basic Information
CAS
65615-23-8
Multi CAS
No
Molecular Formula
C17H16O4
Molecular Weight
284.310000
Exact Mass
284.104859
InChI
InChI=1S/C17H16O4/c1-19-17-14-11-21-16(18)9-13(14)7-8-15(17)20-10-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3
InChIKey
POMDWHMSAXNDJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
77.27
TPSA
44.76
LogP / Solubility
WLOGP
2.87
MLOGP
2.54
XLogP3
2.7
Consensus LogP
2.7
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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