CAS RN: 56365-38-9
Capillarisin
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250414 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS56365-38-9
- Purity/Analytical Methods: >99.0%
56365-38-9 / 5,7-dihydroxy-2-(4-hydroxyphenoxy)-6-methoxychromen-4-one
Basic Information
CAS
56365-38-9
Multi CAS
No
Molecular Formula
C16H12O7
Molecular Weight
316.260000
Exact Mass
316.058303
InChI
InChI=1S/C16H12O7/c1-21-16-11(19)6-12-14(15(16)20)10(18)7-13(23-12)22-9-4-2-8(17)3-5-9/h2-7,17,19-20H,1H3
InChIKey
NTKNGUAZSFAKEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
3
Molar refractivity
80.55
TPSA
109.36
LogP / Solubility
WLOGP
2.71
MLOGP
2.4
XLogP3
2.7
Consensus LogP
2.6
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
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)
-2.72
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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