N'-Methyl-N-(1-methylpyrrolidin-3-yl)-N-phenylcarbamimidic acid
TL;DR: N'-Methyl-N-(1-methylpyrrolidin-3-yl)-N-phenylcarbamimidic acid (CAS 54766-53-9) is a chemical compound with molecular formula C13H19N3O and molecular weight 233.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(1-methylpyrrolidin-3-yl)-1-phenylurea
Also Known As: 3-methyl-1-(1-methylpyrrolidin-3-yl)-1-phenylurea, 3-Methyl-1-(1-methyl-3-pyrrolidinyl)-1-phenylurea, 3-Methyl-1-(1-methyl-3-pyrrolidinyl)-1-phenyl-urea, 5-22-08-00019 (Beilstein Handbook Reference), Urea, 3-methyl-1-(1-methyl-3-pyrrolidinyl)-1-phenyl-
| Molecular Formula | C13H19N3O |
|---|---|
| Molecular Weight | 233.15 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.15282 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 54766-53-9 |
|---|---|
| SMILES | CNC(=O)N(C1CCN(C1)C)C2=CC=CC=C2 |
| InChIKey | VNYRHUUXBBPRLZ-UHFFFAOYSA-N |
Product Overview
N'-Methyl-N-(1-methylpyrrolidin-3-yl)-N-phenylcarbamimidic acid (CAS 54766-53-9), with molecular formula C13H19N3O and molecular weight 233.15 g/mol. IUPAC: 3-methyl-1-(1-methylpyrrolidin-3-yl)-1-phenylurea.
Chemical Property Profile of N'-Methyl-N-(1-methylpyrrolidin-3-yl)-N-phenylcarbamimidic acid
Property Insights of N'-Methyl-N-(1-methylpyrrolidin-3-yl)-N-phenylcarbamimidic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-Methyl-N-(1-methylpyrrolidin-3-yl)-N-phenylcarbamimidic acid. With a topological polar surface area (TPSA) of 35.6 Ų, N'-Methyl-N-(1-methylpyrrolidin-3-yl)-N-phenylcarbamimidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-Methyl-N-(1-methylpyrrolidin-3-yl)-N-phenylcarbamimidic 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'-Methyl-N-(1-methylpyrrolidin-3-yl)-N-phenylcarbamimidic acid?
The CAS number of N'-Methyl-N-(1-methylpyrrolidin-3-yl)-N-phenylcarbamimidic acid is 54766-53-9.
What is the molecular formula of N'-Methyl-N-(1-methylpyrrolidin-3-yl)-N-phenylcarbamimidic acid?
The molecular formula of N'-Methyl-N-(1-methylpyrrolidin-3-yl)-N-phenylcarbamimidic acid is C13H19N3O.
What is the molecular weight of N'-Methyl-N-(1-methylpyrrolidin-3-yl)-N-phenylcarbamimidic acid?
The molecular weight of N'-Methyl-N-(1-methylpyrrolidin-3-yl)-N-phenylcarbamimidic acid is 233.15 g/mol.
Where can I buy N'-Methyl-N-(1-methylpyrrolidin-3-yl)-N-phenylcarbamimidic acid?
You can request a quote for N'-Methyl-N-(1-methylpyrrolidin-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'-Methyl-N-(1-methylpyrrolidin-3-yl)-N-phenylcarbamimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N'-Methyl-N-(1-methylpyrrolidin-3-yl)-N-phenylcarbamimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.