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CAS 1236255-21-2 N-Benzyl-2-pyrrolidinecarboxamide hydrochloride molecular structure lightbox
CAS RN: 1236255-21-2

N-Benzyl-2-pyrrolidinecarboxamide hydrochloride

  • Product code: SSC-027372
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1236255-21-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1236255-21-2 / N-benzylpyrrolidine-2-carboxamide;hydrochloride

Standard CAS: 1236255-21-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1236255-21-2
Multi CAS
No
Molecular Formula
C12H17ClN2O
Molecular Weight
240.730000
Exact Mass
240.102941
SMILES
C1CC(NC1)C(=O)NCC2=CC=CC=C2.Cl
InChI
InChI=1S/C12H16N2O.ClH/c15-12(11-7-4-8-13-11)14-9-10-5-2-1-3-6-10;/h1-3,5-6,11,13H,4,7-9H2,(H,14,15);1H
InChIKey
SZNKRADUZXAHCO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
66.56
TPSA
41.13

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
1.48
Consensus LogP
1.42
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-3.14

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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