1-(1-Methylpyrrolidin-2-ylidene)-3-phenylurea
TL;DR: 1-(1-Methylpyrrolidin-2-ylidene)-3-phenylurea (CAS 50528-63-7) is a chemical compound with molecular formula C12H15N3O and molecular weight 217.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-methylpyrrolidin-2-ylidene)-3-phenylurea
Also Known As: Urea, (1-methyl-2-pyrrolidinylidene)phenyl-, 1-(1-Methyl-2-pyrrolidylidene)-3-phenylurea, 1-(1-Methyl-2-pyrrolidinylidene)-3-phenylurea, 1-(1-Methylpyrrolidin-2-ylidene)-3-phenylurea, 5-22-08-00196 (Beilstein Handbook Reference)
| Molecular Formula | C12H15N3O |
|---|---|
| Molecular Weight | 217.12 g/mol |
| LogP | 2.3426 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.1215 |
| Heavy Atoms | 16 |
| Complexity | 399.9847 |
Chemical Identifiers
| CAS Number | 50528-63-7 |
|---|---|
| SMILES | CN1CCCC1=NC(=O)NC2=CC=CC=C2 |
Product Overview
1-(1-Methylpyrrolidin-2-ylidene)-3-phenylurea (CAS 50528-63-7), with molecular formula C12H15N3O and molecular weight 217.12 g/mol. IUPAC: 1-(1-methylpyrrolidin-2-ylidene)-3-phenylurea.
Chemical Property Profile of 1-(1-Methylpyrrolidin-2-ylidene)-3-phenylurea
Property Insights of 1-(1-Methylpyrrolidin-2-ylidene)-3-phenylurea
The XLogP value of 2.3426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Methylpyrrolidin-2-ylidene)-3-phenylurea. With a topological polar surface area (TPSA) of 44.7 Ų, 1-(1-Methylpyrrolidin-2-ylidene)-3-phenylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Methylpyrrolidin-2-ylidene)-3-phenylurea has 1 hydrogen bond donor(s) and 1 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 1-(1-Methylpyrrolidin-2-ylidene)-3-phenylurea?
The CAS number of 1-(1-Methylpyrrolidin-2-ylidene)-3-phenylurea is 50528-63-7.
What is the molecular formula of 1-(1-Methylpyrrolidin-2-ylidene)-3-phenylurea?
The molecular formula of 1-(1-Methylpyrrolidin-2-ylidene)-3-phenylurea is C12H15N3O.
What is the molecular weight of 1-(1-Methylpyrrolidin-2-ylidene)-3-phenylurea?
The molecular weight of 1-(1-Methylpyrrolidin-2-ylidene)-3-phenylurea is 217.12 g/mol.
Where can I buy 1-(1-Methylpyrrolidin-2-ylidene)-3-phenylurea?
You can request a quote for 1-(1-Methylpyrrolidin-2-ylidene)-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Methylpyrrolidin-2-ylidene)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Methylpyrrolidin-2-ylidene)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.