N,N-Bis(2-chloroethyl)-N'-(4-methoxyphenyl)urea
TL;DR: N,N-Bis(2-chloroethyl)-N'-(4-methoxyphenyl)urea (CAS 92167-94-7) is a chemical compound with molecular formula C12H16Cl2N2O2 and molecular weight 290.06 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-methoxyphenyl)urea
Also Known As: NCIOpen2_002459, 1,1-bis(2-chloroethyl)-3-(4-methoxyphenyl)urea, N,N-Bis(2-chloroethyl)-N'-(4-methoxyphenyl)urea, Urea, 1,1-bis(2-chloroethyl)-3-(p-methoxyphenyl)-, Urea,1-bis(2-chloroethyl)-3-(p-methoxyphenyl)-
| Molecular Formula | C12H16Cl2N2O2 |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.05887 |
| Heavy Atoms | 18 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 92167-94-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)N(CCCl)CCCl |
| InChIKey | BTHSVAKCUJULGD-UHFFFAOYSA-N |
Product Overview
N,N-Bis(2-chloroethyl)-N'-(4-methoxyphenyl)urea (CAS 92167-94-7), with molecular formula C12H16Cl2N2O2 and molecular weight 290.06 g/mol. IUPAC: 1,1-bis(2-chloroethyl)-3-(4-methoxyphenyl)urea.
Chemical Property Profile of N,N-Bis(2-chloroethyl)-N'-(4-methoxyphenyl)urea
Property Insights of N,N-Bis(2-chloroethyl)-N'-(4-methoxyphenyl)urea
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Bis(2-chloroethyl)-N'-(4-methoxyphenyl)urea. With a topological polar surface area (TPSA) of 41.6 Ų, N,N-Bis(2-chloroethyl)-N'-(4-methoxyphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-N'-(4-methoxyphenyl)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 N,N-Bis(2-chloroethyl)-N'-(4-methoxyphenyl)urea?
The CAS number of N,N-Bis(2-chloroethyl)-N'-(4-methoxyphenyl)urea is 92167-94-7.
What is the molecular formula of N,N-Bis(2-chloroethyl)-N'-(4-methoxyphenyl)urea?
The molecular formula of N,N-Bis(2-chloroethyl)-N'-(4-methoxyphenyl)urea is C12H16Cl2N2O2.
What is the molecular weight of N,N-Bis(2-chloroethyl)-N'-(4-methoxyphenyl)urea?
The molecular weight of N,N-Bis(2-chloroethyl)-N'-(4-methoxyphenyl)urea is 290.06 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-N'-(4-methoxyphenyl)urea?
You can request a quote for N,N-Bis(2-chloroethyl)-N'-(4-methoxyphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Bis(2-chloroethyl)-N'-(4-methoxyphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(2-chloroethyl)-N'-(4-methoxyphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.