N'-(1-Methylpyrrolidin-3-yl)-N,N-diphenylcarbamimidic acid
TL;DR: N'-(1-Methylpyrrolidin-3-yl)-N,N-diphenylcarbamimidic acid (CAS 54798-76-4) 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.
3-(1-methylpyrrolidin-3-yl)-1,1-diphenylurea
Also Known As: 3-(1-methylpyrrolidin-3-yl)-1,1-diphenylurea, 3-(1-Methyl-3-pyrrolidinyl)-1,1-diphenylurea, 3-(1-Methyl-3-pyrrolidinyl)-1,1-diphenyl-urea, Urea, 3-(1-methyl-3-pyrrolidinyl)-1,1-diphenyl-, 5-22-08-00017 (Beilstein Handbook Reference)
| Molecular Formula | C18H21N3O |
|---|---|
| Molecular Weight | 295.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.16846 |
| Heavy Atoms | 22 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 54798-76-4 |
|---|---|
| SMILES | CN1CCC(C1)NC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | TUEBKYWYOWCPLP-UHFFFAOYSA-N |
Product Overview
N'-(1-Methylpyrrolidin-3-yl)-N,N-diphenylcarbamimidic acid (CAS 54798-76-4), with molecular formula C18H21N3O and molecular weight 295.17 g/mol. IUPAC: 3-(1-methylpyrrolidin-3-yl)-1,1-diphenylurea.
Chemical Property Profile of N'-(1-Methylpyrrolidin-3-yl)-N,N-diphenylcarbamimidic acid
Property Insights of N'-(1-Methylpyrrolidin-3-yl)-N,N-diphenylcarbamimidic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(1-Methylpyrrolidin-3-yl)-N,N-diphenylcarbamimidic acid. With a topological polar surface area (TPSA) of 35.6 Ų, N'-(1-Methylpyrrolidin-3-yl)-N,N-diphenylcarbamimidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(1-Methylpyrrolidin-3-yl)-N,N-diphenylcarbamimidic acid 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 N'-(1-Methylpyrrolidin-3-yl)-N,N-diphenylcarbamimidic acid?
The CAS number of N'-(1-Methylpyrrolidin-3-yl)-N,N-diphenylcarbamimidic acid is 54798-76-4.
What is the molecular formula of N'-(1-Methylpyrrolidin-3-yl)-N,N-diphenylcarbamimidic acid?
The molecular formula of N'-(1-Methylpyrrolidin-3-yl)-N,N-diphenylcarbamimidic acid is C18H21N3O.
What is the molecular weight of N'-(1-Methylpyrrolidin-3-yl)-N,N-diphenylcarbamimidic acid?
The molecular weight of N'-(1-Methylpyrrolidin-3-yl)-N,N-diphenylcarbamimidic acid is 295.17 g/mol.
Where can I buy N'-(1-Methylpyrrolidin-3-yl)-N,N-diphenylcarbamimidic acid?
You can request a quote for N'-(1-Methylpyrrolidin-3-yl)-N,N-diphenylcarbamimidic 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-Methylpyrrolidin-3-yl)-N,N-diphenylcarbamimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N'-(1-Methylpyrrolidin-3-yl)-N,N-diphenylcarbamimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.