1-(1-Methylpyrrolidin-2-ylidene)-3-(p-nitrophenyl)urea
TL;DR: 1-(1-Methylpyrrolidin-2-ylidene)-3-(p-nitrophenyl)urea (CAS 50529-02-7) is a chemical compound with molecular formula C12H14N4O3 and molecular weight 262.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-methylpyrrolidin-2-ylidene)-3-(4-nitrophenyl)urea
Also Known As: 1-(1-Methyl-2-pyrrolidylidene)-3-p-nitrophenylurea, 1-(1-Methylpyrrolidin-2-ylidene)-3-(p-nitrophenyl)urea, 1 -(1 -Methyl-2 -pyrrolidylidene)-3 -p-nitrophenylurea, (1E)-1-(1-methylpyrrolidin-2-ylidene)-3-(4-nitrophenyl)urea
| Molecular Formula | C12H14N4O3 |
|---|---|
| Molecular Weight | 262.11 g/mol |
| LogP | 2.2508 |
| Topological Polar Surface Area | 87.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.1066 |
| Heavy Atoms | 19 |
| Complexity | 524.28094 |
Chemical Identifiers
| CAS Number | 50529-02-7 |
|---|---|
| SMILES | CN1CCCC1=NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-(1-Methylpyrrolidin-2-ylidene)-3-(p-nitrophenyl)urea (CAS 50529-02-7), with molecular formula C12H14N4O3 and molecular weight 262.11 g/mol. IUPAC: 1-(1-methylpyrrolidin-2-ylidene)-3-(4-nitrophenyl)urea.
Chemical Property Profile of 1-(1-Methylpyrrolidin-2-ylidene)-3-(p-nitrophenyl)urea
Property Insights of 1-(1-Methylpyrrolidin-2-ylidene)-3-(p-nitrophenyl)urea
The XLogP value of 2.2508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Methylpyrrolidin-2-ylidene)-3-(p-nitrophenyl)urea. The TPSA of 87.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Methylpyrrolidin-2-ylidene)-3-(p-nitrophenyl)urea. Following Lipinski's Rule of Five, 1-(1-Methylpyrrolidin-2-ylidene)-3-(p-nitrophenyl)urea has 1 hydrogen bond donor(s) and 3 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-(p-nitrophenyl)urea?
The CAS number of 1-(1-Methylpyrrolidin-2-ylidene)-3-(p-nitrophenyl)urea is 50529-02-7.
What is the molecular formula of 1-(1-Methylpyrrolidin-2-ylidene)-3-(p-nitrophenyl)urea?
The molecular formula of 1-(1-Methylpyrrolidin-2-ylidene)-3-(p-nitrophenyl)urea is C12H14N4O3.
What is the molecular weight of 1-(1-Methylpyrrolidin-2-ylidene)-3-(p-nitrophenyl)urea?
The molecular weight of 1-(1-Methylpyrrolidin-2-ylidene)-3-(p-nitrophenyl)urea is 262.11 g/mol.
Where can I buy 1-(1-Methylpyrrolidin-2-ylidene)-3-(p-nitrophenyl)urea?
You can request a quote for 1-(1-Methylpyrrolidin-2-ylidene)-3-(p-nitrophenyl)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-(p-nitrophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Methylpyrrolidin-2-ylidene)-3-(p-nitrophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.