N-(1-Benzylpyrrolidin-3-yl)-N'-phenylcarbamimidic acid
TL;DR: N-(1-Benzylpyrrolidin-3-yl)-N'-phenylcarbamimidic acid (CAS 54797-45-4) is a chemical compound with molecular formula C18H21N3O and molecular weight 295.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzylpyrrolidin-3-yl)-3-phenylurea
Also Known As: 1-(1-benzylpyrrolidin-3-yl)-3-phenylurea, 1-(1-Benzyl-3-pyrrolidinyl)-3-phenyl-urea, Urea, 1-(1-benzyl-3-pyrrolidinyl)-3-phenyl-, 3-(1-benzylpyrrolidin-3-yl)-1-phenylurea, 5-22-08-00020 (Beilstein Handbook Reference)
| Molecular Formula | C18H21N3O |
|---|---|
| Molecular Weight | 295.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.16846 |
| Heavy Atoms | 22 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 54797-45-4 |
|---|---|
| SMILES | C1CN(CC1NC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3 |
| InChIKey | RKROQEVUVQKKGT-UHFFFAOYSA-N |
Product Overview
N-(1-Benzylpyrrolidin-3-yl)-N'-phenylcarbamimidic acid (CAS 54797-45-4), with molecular formula C18H21N3O and molecular weight 295.17 g/mol. IUPAC: 1-(1-benzylpyrrolidin-3-yl)-3-phenylurea.
Chemical Property Profile of N-(1-Benzylpyrrolidin-3-yl)-N'-phenylcarbamimidic acid
Property Insights of N-(1-Benzylpyrrolidin-3-yl)-N'-phenylcarbamimidic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Benzylpyrrolidin-3-yl)-N'-phenylcarbamimidic acid. With a topological polar surface area (TPSA) of 44.4 Ų, N-(1-Benzylpyrrolidin-3-yl)-N'-phenylcarbamimidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-Benzylpyrrolidin-3-yl)-N'-phenylcarbamimidic acid has 2 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 N-(1-Benzylpyrrolidin-3-yl)-N'-phenylcarbamimidic acid?
The CAS number of N-(1-Benzylpyrrolidin-3-yl)-N'-phenylcarbamimidic acid is 54797-45-4.
What is the molecular formula of N-(1-Benzylpyrrolidin-3-yl)-N'-phenylcarbamimidic acid?
The molecular formula of N-(1-Benzylpyrrolidin-3-yl)-N'-phenylcarbamimidic acid is C18H21N3O.
What is the molecular weight of N-(1-Benzylpyrrolidin-3-yl)-N'-phenylcarbamimidic acid?
The molecular weight of N-(1-Benzylpyrrolidin-3-yl)-N'-phenylcarbamimidic acid is 295.17 g/mol.
Where can I buy N-(1-Benzylpyrrolidin-3-yl)-N'-phenylcarbamimidic acid?
You can request a quote for N-(1-Benzylpyrrolidin-3-yl)-N'-phenylcarbamimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Benzylpyrrolidin-3-yl)-N'-phenylcarbamimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Benzylpyrrolidin-3-yl)-N'-phenylcarbamimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.