1-Benzyl-3-(1-benzylamino-2,2,2-trichloro-ethyl)-urea
TL;DR: 1-Benzyl-3-(1-benzylamino-2,2,2-trichloro-ethyl)-urea (CAS 68550-08-3) is a chemical compound with molecular formula C17H18Cl3N3O and molecular weight 385.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[1-(benzylamino)-2,2,2-trichloroethyl]urea
Also Known As: BAS 00100285, 1-Benzyl-3-(1-benzylamino-2,2,2-trichloro-ethyl)-urea, 1-benzyl-3-[1-(benzylamino)-2,2,2-trichloroethyl]urea, 684-633-3, RefChem:429813
| Molecular Formula | C17H18Cl3N3O |
|---|---|
| Molecular Weight | 385.05 g/mol |
| LogP | 3.9719 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.05154 |
| Heavy Atoms | 24 |
| Complexity | 632.53394 |
Chemical Identifiers
| CAS Number | 68550-08-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(C(Cl)(Cl)Cl)NC(=O)NCC2=CC=CC=C2 |
Product Overview
1-Benzyl-3-(1-benzylamino-2,2,2-trichloro-ethyl)-urea (CAS 68550-08-3), with molecular formula C17H18Cl3N3O and molecular weight 385.05 g/mol. IUPAC: 1-benzyl-3-[1-(benzylamino)-2,2,2-trichloroethyl]urea.
Chemical Property Profile of 1-Benzyl-3-(1-benzylamino-2,2,2-trichloro-ethyl)-urea
Property Insights of 1-Benzyl-3-(1-benzylamino-2,2,2-trichloro-ethyl)-urea
The XLogP value of 3.9719 indicates that 1-Benzyl-3-(1-benzylamino-2,2,2-trichloro-ethyl)-urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, 1-Benzyl-3-(1-benzylamino-2,2,2-trichloro-ethyl)-urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-(1-benzylamino-2,2,2-trichloro-ethyl)-urea 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 1-Benzyl-3-(1-benzylamino-2,2,2-trichloro-ethyl)-urea?
The CAS number of 1-Benzyl-3-(1-benzylamino-2,2,2-trichloro-ethyl)-urea is 68550-08-3.
What is the molecular formula of 1-Benzyl-3-(1-benzylamino-2,2,2-trichloro-ethyl)-urea?
The molecular formula of 1-Benzyl-3-(1-benzylamino-2,2,2-trichloro-ethyl)-urea is C17H18Cl3N3O.
What is the molecular weight of 1-Benzyl-3-(1-benzylamino-2,2,2-trichloro-ethyl)-urea?
The molecular weight of 1-Benzyl-3-(1-benzylamino-2,2,2-trichloro-ethyl)-urea is 385.05 g/mol.
Where can I buy 1-Benzyl-3-(1-benzylamino-2,2,2-trichloro-ethyl)-urea?
You can request a quote for 1-Benzyl-3-(1-benzylamino-2,2,2-trichloro-ethyl)-urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-(1-benzylamino-2,2,2-trichloro-ethyl)-urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-(1-benzylamino-2,2,2-trichloro-ethyl)-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.