1-(2-Chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea
TL;DR: 1-(2-Chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea (CAS 58484-19-8) is a chemical compound with molecular formula C9H17ClN2O6 and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea
Also Known As: 1-(2-chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea, N-(2-Chloroethyl)-N'-(2,3,4,5,6-pentahydroxycyclohexyl)urea
| Molecular Formula | C9H17ClN2O6 |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.0775 |
| Heavy Atoms | 18 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 58484-19-8 |
|---|---|
| SMILES | C(CCl)NC(=O)NC1C(C(C(C(C1O)O)O)O)O |
| InChIKey | GKXZYBWIPXPBDB-UHFFFAOYSA-N |
Product Overview
1-(2-Chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea (CAS 58484-19-8), with molecular formula C9H17ClN2O6 and molecular weight 284.08 g/mol. IUPAC: 1-(2-chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea.
Chemical Property Profile of 1-(2-Chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea
Property Insights of 1-(2-Chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea
The XLogP value of -3.3 indicates that 1-(2-Chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.0 Ų indicates high polarity, suggesting 1-(2-Chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea has 7 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-Chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea?
The CAS number of 1-(2-Chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea is 58484-19-8.
What is the molecular formula of 1-(2-Chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea?
The molecular formula of 1-(2-Chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea is C9H17ClN2O6.
What is the molecular weight of 1-(2-Chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea?
The molecular weight of 1-(2-Chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea is 284.08 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea?
You can request a quote for 1-(2-Chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)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-(2,3,4,5,6-pentahydroxycyclohexyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.