CAS RN: 3447-95-8
benfurodil hemisuccinate
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.20251123 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS3447-95-8
- Purity/Analytical Methods: >99.0%
3447-95-8 / 4-[1-[3-methyl-5-(5-oxo-2H-furan-3-yl)-1-benzofuran-2-yl]ethoxy]-4-oxobutanoic acid
Basic Information
CAS
3447-95-8
Multi CAS
Yes
Molecular Formula
C19H18O7
Molecular Weight
358.300000
Exact Mass
358.105253
InChI
InChI=1S/C19H18O7/c1-10-14-7-12(13-8-18(23)24-9-13)3-4-15(14)26-19(10)11(2)25-17(22)6-5-16(20)21/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,20,21)
InChIKey
URIZBPYQIRFMBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
9
Fraction Csp3
0.32
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
91.26
TPSA
103.04
LogP / Solubility
WLOGP
3.15
MLOGP
2.79
XLogP3
1.7
Consensus LogP
2.55
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
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
Yes
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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6-METHOXY-2,3,4,9-TETRAHYDRO-CARBAZOL-1-ONE
- CAS RN: 3449-49-8
- Product Code: starshine_CAS3449-49-8
- Purity/Analytical method: >99.0%
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