1-(2,6-Dichlorophenyl)-3-(1-methyl-2-pyrrolidylidene)urea
TL;DR: 1-(2,6-Dichlorophenyl)-3-(1-methyl-2-pyrrolidylidene)urea (CAS 50529-04-9) is a chemical compound with molecular formula C12H13Cl2N3O and molecular weight 285.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dichlorophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Also Known As: 5-22-08-00196 (Beilstein Handbook Reference), Urea, (2,6-dichlorophenyl)(1-methyl-2-pyrrolidinylidene)-, 1-(2,6-Dichlorophenyl)-3-(1-methyl-2-pyrrolidinylidene)urea, 1-(2,6-dichlorophenyl)-3-(1-methyl-2-pyrrolidylidene)urea, Urea, 1-(2,6-dichlorophenyl)-3-(1-methyl-2-pyrrolidinylidene)-
| Molecular Formula | C12H13Cl2N3O |
|---|---|
| Molecular Weight | 285.04 g/mol |
| LogP | 3.6494 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.04358 |
| Heavy Atoms | 18 |
| Complexity | 481.84595 |
Chemical Identifiers
| CAS Number | 50529-04-9 |
|---|---|
| SMILES | CN1CCCC1=NC(=O)NC2=C(C=CC=C2Cl)Cl |
Product Overview
1-(2,6-Dichlorophenyl)-3-(1-methyl-2-pyrrolidylidene)urea (CAS 50529-04-9), with molecular formula C12H13Cl2N3O and molecular weight 285.04 g/mol. IUPAC: 1-(2,6-dichlorophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea.
Chemical Property Profile of 1-(2,6-Dichlorophenyl)-3-(1-methyl-2-pyrrolidylidene)urea
Property Insights of 1-(2,6-Dichlorophenyl)-3-(1-methyl-2-pyrrolidylidene)urea
The XLogP value of 3.6494 indicates that 1-(2,6-Dichlorophenyl)-3-(1-methyl-2-pyrrolidylidene)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.7 Ų, 1-(2,6-Dichlorophenyl)-3-(1-methyl-2-pyrrolidylidene)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,6-Dichlorophenyl)-3-(1-methyl-2-pyrrolidylidene)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-(2,6-Dichlorophenyl)-3-(1-methyl-2-pyrrolidylidene)urea?
The CAS number of 1-(2,6-Dichlorophenyl)-3-(1-methyl-2-pyrrolidylidene)urea is 50529-04-9.
What is the molecular formula of 1-(2,6-Dichlorophenyl)-3-(1-methyl-2-pyrrolidylidene)urea?
The molecular formula of 1-(2,6-Dichlorophenyl)-3-(1-methyl-2-pyrrolidylidene)urea is C12H13Cl2N3O.
What is the molecular weight of 1-(2,6-Dichlorophenyl)-3-(1-methyl-2-pyrrolidylidene)urea?
The molecular weight of 1-(2,6-Dichlorophenyl)-3-(1-methyl-2-pyrrolidylidene)urea is 285.04 g/mol.
Where can I buy 1-(2,6-Dichlorophenyl)-3-(1-methyl-2-pyrrolidylidene)urea?
You can request a quote for 1-(2,6-Dichlorophenyl)-3-(1-methyl-2-pyrrolidylidene)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,6-Dichlorophenyl)-3-(1-methyl-2-pyrrolidylidene)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-Dichlorophenyl)-3-(1-methyl-2-pyrrolidylidene)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.