1-(1-Methylpyrrolidin-2-ylidene)-3-(m-tolyl)urea
TL;DR: 1-(1-Methylpyrrolidin-2-ylidene)-3-(m-tolyl)urea (CAS 50528-98-8) is a chemical compound with molecular formula C13H17N3O and molecular weight 231.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Also Known As: 1-(1-Methylpyrrolidin-2-ylidene)-3-(m-tolyl)urea, 1-m-methylphenyl-3-(1-methyl-2-pyrrolidylidene)urea
| Molecular Formula | C13H17N3O |
|---|---|
| Molecular Weight | 231.14 g/mol |
| LogP | 2.65102 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.13716 |
| Heavy Atoms | 17 |
| Complexity | 453.73273 |
Chemical Identifiers
| CAS Number | 50528-98-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)N=C2CCCN2C |
Product Overview
1-(1-Methylpyrrolidin-2-ylidene)-3-(m-tolyl)urea (CAS 50528-98-8), with molecular formula C13H17N3O and molecular weight 231.14 g/mol. IUPAC: 1-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea.
Chemical Property Profile of 1-(1-Methylpyrrolidin-2-ylidene)-3-(m-tolyl)urea
Property Insights of 1-(1-Methylpyrrolidin-2-ylidene)-3-(m-tolyl)urea
The XLogP value of 2.65102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Methylpyrrolidin-2-ylidene)-3-(m-tolyl)urea. With a topological polar surface area (TPSA) of 44.7 Ų, 1-(1-Methylpyrrolidin-2-ylidene)-3-(m-tolyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Methylpyrrolidin-2-ylidene)-3-(m-tolyl)urea 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-(m-tolyl)urea?
The CAS number of 1-(1-Methylpyrrolidin-2-ylidene)-3-(m-tolyl)urea is 50528-98-8.
What is the molecular formula of 1-(1-Methylpyrrolidin-2-ylidene)-3-(m-tolyl)urea?
The molecular formula of 1-(1-Methylpyrrolidin-2-ylidene)-3-(m-tolyl)urea is C13H17N3O.
What is the molecular weight of 1-(1-Methylpyrrolidin-2-ylidene)-3-(m-tolyl)urea?
The molecular weight of 1-(1-Methylpyrrolidin-2-ylidene)-3-(m-tolyl)urea is 231.14 g/mol.
Where can I buy 1-(1-Methylpyrrolidin-2-ylidene)-3-(m-tolyl)urea?
You can request a quote for 1-(1-Methylpyrrolidin-2-ylidene)-3-(m-tolyl)urea 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-(m-tolyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Methylpyrrolidin-2-ylidene)-3-(m-tolyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.