1,1-Bis(2-chloroethyl)-3-(4-fluorophenyl)urea
TL;DR: 1,1-Bis(2-chloroethyl)-3-(4-fluorophenyl)urea (CAS 23574-40-5) is a chemical compound with molecular formula C11H13Cl2FN2O and molecular weight 278.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(2-chloroethyl)-3-(4-fluorophenyl)urea
Also Known As: 1,1-bis(2-chloroethyl)-3-(4-fluorophenyl)urea, KST-1B2007, N,N-Bis(2-chloroethyl)-N'-(4-fluorophenyl)urea, Urea,n,n-bis(2-chloroethyl)-n-(4-fluorophenyl)-, Urea,N,N-bis(2-chloroethyl)-N'-(4-fluorophenyl)-
| Molecular Formula | C11H13Cl2FN2O |
|---|---|
| Molecular Weight | 278.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.0389 |
| Heavy Atoms | 17 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 23574-40-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)N(CCCl)CCCl)F |
| InChIKey | BZHMGOWHZHYFHF-UHFFFAOYSA-N |
Product Overview
1,1-Bis(2-chloroethyl)-3-(4-fluorophenyl)urea (CAS 23574-40-5), with molecular formula C11H13Cl2FN2O and molecular weight 278.04 g/mol. IUPAC: 1,1-bis(2-chloroethyl)-3-(4-fluorophenyl)urea.
Chemical Property Profile of 1,1-Bis(2-chloroethyl)-3-(4-fluorophenyl)urea
Property Insights of 1,1-Bis(2-chloroethyl)-3-(4-fluorophenyl)urea
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Bis(2-chloroethyl)-3-(4-fluorophenyl)urea. With a topological polar surface area (TPSA) of 32.3 Ų, 1,1-Bis(2-chloroethyl)-3-(4-fluorophenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Bis(2-chloroethyl)-3-(4-fluorophenyl)urea has 1 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 1,1-Bis(2-chloroethyl)-3-(4-fluorophenyl)urea?
The CAS number of 1,1-Bis(2-chloroethyl)-3-(4-fluorophenyl)urea is 23574-40-5.
What is the molecular formula of 1,1-Bis(2-chloroethyl)-3-(4-fluorophenyl)urea?
The molecular formula of 1,1-Bis(2-chloroethyl)-3-(4-fluorophenyl)urea is C11H13Cl2FN2O.
What is the molecular weight of 1,1-Bis(2-chloroethyl)-3-(4-fluorophenyl)urea?
The molecular weight of 1,1-Bis(2-chloroethyl)-3-(4-fluorophenyl)urea is 278.04 g/mol.
Where can I buy 1,1-Bis(2-chloroethyl)-3-(4-fluorophenyl)urea?
You can request a quote for 1,1-Bis(2-chloroethyl)-3-(4-fluorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Bis(2-chloroethyl)-3-(4-fluorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Bis(2-chloroethyl)-3-(4-fluorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.