CAS RN: 96917-26-9
Artanin
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260213 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS96917-26-9
- Purity/Analytical Methods: >99.0%
96917-26-9 / 5,7-dimethoxy-8-(3-methylbut-2-enoxy)chromen-2-one
Basic Information
CAS
96917-26-9
Multi CAS
No
Molecular Formula
C16H18O5
Molecular Weight
290.310000
Exact Mass
290.115424
InChI
InChI=1S/C16H18O5/c1-10(2)7-8-20-16-13(19-4)9-12(18-3)11-5-6-14(17)21-15(11)16/h5-7,9H,8H2,1-4H3
InChIKey
BSOMOYSKROCRIG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
80.51
TPSA
57.9
LogP / Solubility
WLOGP
3.16
MLOGP
2.79
XLogP3
3.3
Consensus LogP
3.08
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
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)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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