![CAS 478149-53-0 “N-(3R)-1-Azabicyclo[2.2.2]oct-3-yl-furo[2,3-c]pyridine- 5-carboxamidehydrochloride PHA 543613hydrochloride” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/478149-53-0.gif)
CAS RN: 478149-53-0
“N-(3R)-1-Azabicyclo[2.2.2]oct-3-yl-furo[2,3-c]pyridine- 5-carboxamidehydrochloride PHA 543613hydrochloride”
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250221 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS478149-53-0
- Purity/Analytical Methods: >99.0%
478149-53-0 / N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
Basic Information
CAS
478149-53-0
Multi CAS
Yes
Molecular Formula
C15H17N3O2
Molecular Weight
271.310000
Exact Mass
271.132077
InChI
InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1
InChIKey
IPKZCLGGYKRDES-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.47
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
74.43
TPSA
58.37
LogP / Solubility
WLOGP
1.65
MLOGP
1.46
XLogP3
1.5
Consensus LogP
1.54
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
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