1,3-Bis(2-chloroethyl)urea
TL;DR: 1,3-Bis(2-chloroethyl)urea (CAS 2214-72-4) is a chemical compound with molecular formula C5H10Cl2N2O and molecular weight 184.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(2-chloroethyl)urea
Also Known As: 1,3-Bis(2-chloroethyl)urea, N,N'-bis-(2-Chloroethyl)urea, Carmustine impurity A, Urea, N,N'-bis(2-chloroethyl)-, N,N'-Bis(2-chloroethyl)urea
| Molecular Formula | C5H10Cl2N2O |
|---|---|
| Molecular Weight | 184.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.01701 |
| Heavy Atoms | 10 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 2214-72-4 |
|---|---|
| SMILES | C(CCl)NC(=O)NCCCl |
| InChIKey | VBWBRZHAGLZNST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Bis(2-chloroethyl)urea (CAS 2214-72-4), with molecular formula C5H10Cl2N2O and molecular weight 184.02 g/mol. IUPAC: 1,3-bis(2-chloroethyl)urea.
Chemical Property Profile of 1,3-Bis(2-chloroethyl)urea
Property Insights of 1,3-Bis(2-chloroethyl)urea
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(2-chloroethyl)urea. With a topological polar surface area (TPSA) of 41.1 Ų, 1,3-Bis(2-chloroethyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(2-chloroethyl)urea has 2 hydrogen bond donor(s) and 1 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 1,3-Bis(2-chloroethyl)urea?
The CAS number of 1,3-Bis(2-chloroethyl)urea is 2214-72-4.
What is the molecular formula of 1,3-Bis(2-chloroethyl)urea?
The molecular formula of 1,3-Bis(2-chloroethyl)urea is C5H10Cl2N2O.
What is the molecular weight of 1,3-Bis(2-chloroethyl)urea?
The molecular weight of 1,3-Bis(2-chloroethyl)urea is 184.02 g/mol.
Where can I buy 1,3-Bis(2-chloroethyl)urea?
You can request a quote for 1,3-Bis(2-chloroethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(2-chloroethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(2-chloroethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.