RefChem:387869
TL;DR: RefChem:387869 (CAS 68657-00-1) is a chemical compound with molecular formula C14H20ClF3N4O and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-diethylphenyl)-3-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]urea;hydrochloride
Also Known As: Urea, N-(2,6-diethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride, N-(2,6-Diethylphenyl)-N'-(imino((2,2,2-trifluoroethyl)amino)methyl)urea hydrochloride, 1-(2,6-diethylphenyl)-3-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]urea hydrochloride, N-(2,6-Diethylphenyl)-N'-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]urea--hydrogen chloride (1/1), RefChem:387869
| Molecular Formula | C14H20ClF3N4O |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 3.2317 |
| Topological Polar Surface Area | 79.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.12778 |
| Heavy Atoms | 23 |
| Complexity | 539.1936 |
Chemical Identifiers
| CAS Number | 68657-00-1 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)NC(=O)NC(=NCC(F)(F)F)N.Cl |
Product Overview
RefChem:387869 (CAS 68657-00-1), with molecular formula C14H20ClF3N4O and molecular weight 352.13 g/mol. IUPAC: 1-(2,6-diethylphenyl)-3-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]urea;hydrochloride.
Chemical Property Profile of RefChem:387869
Property Insights of RefChem:387869
The XLogP value of 3.2317 indicates that RefChem:387869 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.51 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:387869. Following Lipinski's Rule of Five, RefChem:387869 has 3 hydrogen bond donor(s) and 2 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 RefChem:387869?
The CAS number of RefChem:387869 is 68657-00-1.
What is the molecular formula of RefChem:387869?
The molecular formula of RefChem:387869 is C14H20ClF3N4O.
What is the molecular weight of RefChem:387869?
The molecular weight of RefChem:387869 is 352.13 g/mol.
Where can I buy RefChem:387869?
You can request a quote for RefChem:387869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:387869?
Yes, KEHONG BIO provides custom synthesis services for RefChem:387869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.