Urea, N'-(3-chlorophenyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-phenyl-, monomethanesulfonate
TL;DR: Urea, N'-(3-chlorophenyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-phenyl-, monomethanesulfonate (CAS 86398-57-4) is a chemical compound with molecular formula C25H36ClN3O5S and molecular weight 525.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-1-phenylurea;methanesulfonic acid
Also Known As: Urea, N'-(3-chlorophenyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-phenyl-, monomethanesulfonate, 3-(3-chlorophenyl)-1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-1-phenylurea; methanesulfonic acid, Methanesulfonic acid--N'-(3-chlorophenyl)-N-[3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl]-N-phenylcarbamimidic acid (1/1), RefChem:387691
| Molecular Formula | C25H36ClN3O5S |
|---|---|
| Molecular Weight | 525.21 g/mol |
| LogP | 5.0195 |
| Topological Polar Surface Area | 99.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 525.2064 |
| Heavy Atoms | 35 |
| Complexity | 1006.77216 |
Chemical Identifiers
| CAS Number | 86398-57-4 |
|---|---|
| SMILES | CC(C)COCC(CN(C1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)Cl)N3CCCC3.CS(=O)(=O)O |
Product Overview
Urea, N'-(3-chlorophenyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-phenyl-, monomethanesulfonate (CAS 86398-57-4), with molecular formula C25H36ClN3O5S and molecular weight 525.21 g/mol. IUPAC: 3-(3-chlorophenyl)-1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-1-phenylurea;methanesulfonic acid.
Chemical Property Profile of Urea, N'-(3-chlorophenyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-phenyl-, monomethanesulfonate
Property Insights of Urea, N'-(3-chlorophenyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-phenyl-, monomethanesulfonate
The XLogP value of 5.0195 indicates that Urea, N'-(3-chlorophenyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-phenyl-, monomethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N'-(3-chlorophenyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-phenyl-, monomethanesulfonate. Following Lipinski's Rule of Five, Urea, N'-(3-chlorophenyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-phenyl-, monomethanesulfonate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Urea, N'-(3-chlorophenyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-phenyl-, monomethanesulfonate?
The CAS number of Urea, N'-(3-chlorophenyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-phenyl-, monomethanesulfonate is 86398-57-4.
What is the molecular formula of Urea, N'-(3-chlorophenyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-phenyl-, monomethanesulfonate?
The molecular formula of Urea, N'-(3-chlorophenyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-phenyl-, monomethanesulfonate is C25H36ClN3O5S.
What is the molecular weight of Urea, N'-(3-chlorophenyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-phenyl-, monomethanesulfonate?
The molecular weight of Urea, N'-(3-chlorophenyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-phenyl-, monomethanesulfonate is 525.21 g/mol.
Where can I buy Urea, N'-(3-chlorophenyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-phenyl-, monomethanesulfonate?
You can request a quote for Urea, N'-(3-chlorophenyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-phenyl-, monomethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N'-(3-chlorophenyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-phenyl-, monomethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Urea, N'-(3-chlorophenyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-phenyl-, monomethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.