Urea, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)phenyl)-, monomethanesulfonate
TL;DR: Urea, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)phenyl)-, monomethanesulfonate (CAS 86398-87-0) is a chemical compound with molecular formula C27H35F6N3O5S and molecular weight 627.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-1,3-bis[3-(trifluoromethyl)phenyl]urea
Also Known As: Urea, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)phenyl)-, monomethanesulfonate, Methanesulfonic acid--N-[3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl]-N,N'-bis[3-(trifluoromethyl)phenyl]carbamimidic acid (1/1), methanesulfonic acid; 1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-1,3-bis[3-(trifluoromethyl)phenyl]urea, RefChem:388011
| Molecular Formula | C27H35F6N3O5S |
|---|---|
| Molecular Weight | 627.22 g/mol |
| LogP | 6.4037 |
| Topological Polar Surface Area | 99.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 627.22015 |
| Heavy Atoms | 42 |
| Complexity | 1257.3911 |
Chemical Identifiers
| CAS Number | 86398-87-0 |
|---|---|
| SMILES | CC(C)COCC(CN(C1=CC=CC(=C1)C(F)(F)F)C(=O)NC2=CC=CC(=C2)C(F)(F)F)N3CCCC3.CS(=O)(=O)O |
Product Overview
Urea, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)phenyl)-, monomethanesulfonate (CAS 86398-87-0), with molecular formula C27H35F6N3O5S and molecular weight 627.22 g/mol. IUPAC: methanesulfonic acid;1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-1,3-bis[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of Urea, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)phenyl)-, monomethanesulfonate
Property Insights of Urea, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)phenyl)-, monomethanesulfonate
The XLogP value of 6.4037 indicates that Urea, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)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-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)phenyl)-, monomethanesulfonate. Following Lipinski's Rule of Five, Urea, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)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-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)phenyl)-, monomethanesulfonate?
The CAS number of Urea, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)phenyl)-, monomethanesulfonate is 86398-87-0.
What is the molecular formula of Urea, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)phenyl)-, monomethanesulfonate?
The molecular formula of Urea, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)phenyl)-, monomethanesulfonate is C27H35F6N3O5S.
What is the molecular weight of Urea, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)phenyl)-, monomethanesulfonate?
The molecular weight of Urea, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)phenyl)-, monomethanesulfonate is 627.22 g/mol.
Where can I buy Urea, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)phenyl)-, monomethanesulfonate?
You can request a quote for Urea, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)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-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)phenyl)-, monomethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)phenyl)-, monomethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.