4-(Pyrrolidin-1-ylcarbonyl)aniline
TL;DR: 4-(Pyrrolidin-1-ylcarbonyl)aniline (CAS 56705-86-3) is a chemical compound with molecular formula C11H14N2O and molecular weight 190.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-aminophenyl)-pyrrolidin-1-ylmethanone
Also Known As: 4-(pyrrolidin-1-ylcarbonyl)aniline, (4-aminophenyl)(pyrrolidin-1-yl)methanone, Bromoxylenol blue, 4-(1-Pyrrolidinylcarbonyl)aniline, 4-(pyrrolidine-1-carbonyl)aniline
| Molecular Formula | C11H14N2O |
|---|---|
| Molecular Weight | 190.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.11061 |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 56705-86-3 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C2=CC=C(C=C2)N |
| InChIKey | WDNQOCWBZBGFHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Pyrrolidin-1-ylcarbonyl)aniline (CAS 56705-86-3), with molecular formula C11H14N2O and molecular weight 190.11 g/mol. IUPAC: (4-aminophenyl)-pyrrolidin-1-ylmethanone.
Chemical Property Profile of 4-(Pyrrolidin-1-ylcarbonyl)aniline
Property Insights of 4-(Pyrrolidin-1-ylcarbonyl)aniline
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Pyrrolidin-1-ylcarbonyl)aniline. With a topological polar surface area (TPSA) of 46.3 Ų, 4-(Pyrrolidin-1-ylcarbonyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Pyrrolidin-1-ylcarbonyl)aniline has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Pyrrolidin-1-ylcarbonyl)aniline?
The CAS number of 4-(Pyrrolidin-1-ylcarbonyl)aniline is 56705-86-3.
What is the molecular formula of 4-(Pyrrolidin-1-ylcarbonyl)aniline?
The molecular formula of 4-(Pyrrolidin-1-ylcarbonyl)aniline is C11H14N2O.
What is the molecular weight of 4-(Pyrrolidin-1-ylcarbonyl)aniline?
The molecular weight of 4-(Pyrrolidin-1-ylcarbonyl)aniline is 190.11 g/mol.
Where can I buy 4-(Pyrrolidin-1-ylcarbonyl)aniline?
You can request a quote for 4-(Pyrrolidin-1-ylcarbonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Pyrrolidin-1-ylcarbonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Pyrrolidin-1-ylcarbonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.