CAS RN: 64724-94-3
N-(pyrrolidin-3-yl)benzamidehydrochloride(WXC07879)
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.20250917 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS64724-94-3
- Purity/Analytical Methods: >99.0%
64724-94-3 / N-pyrrolidin-3-ylbenzamide;hydrochloride
Basic Information
CAS
64724-94-3
Multi CAS
No
Molecular Formula
C11H15CLN2O
Molecular Weight
226.700000
Exact Mass
226.087291
InChI
InChI=1S/C11H14N2O.ClH/c14-11(9-4-2-1-3-5-9)13-10-6-7-12-8-10;/h1-5,10,12H,6-8H2,(H,13,14);1H
InChIKey
XDALBRBPLAEAPK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.43
TPSA
41.13
LogP / Solubility
WLOGP
1.2
MLOGP
1.06
XLogP3
1.2
Consensus LogP
1.15
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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