CAS RN: 61854-37-3
DeMethoxy-7-O-Methylcapillarisin
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.20251230 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS61854-37-3
- Purity/Analytical Methods: >99.0%
61854-37-3 / 5-hydroxy-2-(4-hydroxyphenoxy)-7-methoxychromen-4-one
Basic Information
CAS
61854-37-3
Multi CAS
No
Molecular Formula
C16H12O6
Molecular Weight
300.260000
Exact Mass
300.063388
InChI
InChI=1S/C16H12O6/c1-20-11-6-12(18)16-13(19)8-15(22-14(16)7-11)21-10-4-2-9(17)3-5-10/h2-8,17-18H,1H3
InChIKey
KBZNDYPDNBEAGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
78.88
TPSA
89.13
LogP / Solubility
WLOGP
3.01
MLOGP
2.66
XLogP3
2.2
Consensus LogP
2.62
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
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
No
Log Kp (skin permeation)
-2.42
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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