1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea
TL;DR: 1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea (CAS 91621-29-3) is a chemical compound with molecular formula C8H11ClN4O and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(pyrazin-2-ylmethyl)urea
Also Known As: CEPMU, 1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea, 1-(2-chloroethyl)-3-(pyrazin-2-ylmethyl)urea, 1- -3- UREA, Urea, N-(2-chloroethyl)-N'-(pyrazinylmethyl)-, (S)-
| Molecular Formula | C8H11ClN4O |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.06213 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 91621-29-3 |
|---|---|
| SMILES | C1=CN=C(C=N1)CNC(=O)NCCCl |
| InChIKey | MFQNCQCDOXWEAQ-UHFFFAOYSA-N |
Product Overview
1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea (CAS 91621-29-3), with molecular formula C8H11ClN4O and molecular weight 214.06 g/mol. IUPAC: 1-(2-chloroethyl)-3-(pyrazin-2-ylmethyl)urea.
Chemical Property Profile of 1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea
Property Insights of 1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea
The XLogP value of -0.6 indicates that 1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea has 2 hydrogen bond donor(s) and 3 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-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea?
The CAS number of 1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea is 91621-29-3.
What is the molecular formula of 1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea?
The molecular formula of 1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea is C8H11ClN4O.
What is the molecular weight of 1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea?
The molecular weight of 1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea is 214.06 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea?
You can request a quote for 1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-3-(2-pyrazinylmethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.