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CAS RN: 307002-71-7
CL 82198 HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
9 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250620 | 5mg / 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS307002-71-7
- Purity/Analytical Methods: >99.0%
307002-71-7 / N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide
Basic Information
CAS
307002-71-7
Multi CAS
Yes
Molecular Formula
C17H22N2O3
Molecular Weight
302.370000
Exact Mass
302.163043
InChI
InChI=1S/C17H22N2O3/c20-17(16-13-14-5-1-2-6-15(14)22-16)18-7-3-4-8-19-9-11-21-12-10-19/h1-2,5-6,13H,3-4,7-12H2,(H,18,20)
InChIKey
KUJQEQAVMNFFAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.47
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
85.04
TPSA
54.71
LogP / Solubility
WLOGP
2.27
MLOGP
2.01
XLogP3
2.5
Consensus LogP
2.26
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
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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