3-(2,6-Dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea
TL;DR: 3-(2,6-Dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea (CAS 91390-36-2) is a chemical compound with molecular formula C9H16FN3O4 and molecular weight 249.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea
Also Known As: 3-(2,6-dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea, 3-(2,6-Dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitroso-urea, N'-(2,6-dihydroxycyclohexyl)-N-(2-fluoroethyl)-N-nitrosourea, Urea,6-dihydroxycyclohexyl)-N-(2-fluoroethyl)-N-nitroso-, (1.alpha.,2.beta.,6.beta.)-
| Molecular Formula | C9H16FN3O4 |
|---|---|
| Molecular Weight | 249.11 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.11249 |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 91390-36-2 |
|---|---|
| SMILES | C1CC(C(C(C1)O)NC(=O)N(CCF)N=O)O |
| InChIKey | RLAKMEUDNKICOY-UHFFFAOYSA-N |
Product Overview
3-(2,6-Dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea (CAS 91390-36-2), with molecular formula C9H16FN3O4 and molecular weight 249.11 g/mol. IUPAC: 3-(2,6-dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea.
Chemical Property Profile of 3-(2,6-Dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea
Property Insights of 3-(2,6-Dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea
The XLogP value of -0.1 indicates that 3-(2,6-Dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,6-Dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea. Following Lipinski's Rule of Five, 3-(2,6-Dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea has 3 hydrogen bond donor(s) and 6 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 3-(2,6-Dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea?
The CAS number of 3-(2,6-Dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea is 91390-36-2.
What is the molecular formula of 3-(2,6-Dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea?
The molecular formula of 3-(2,6-Dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea is C9H16FN3O4.
What is the molecular weight of 3-(2,6-Dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea?
The molecular weight of 3-(2,6-Dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea is 249.11 g/mol.
Where can I buy 3-(2,6-Dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea?
You can request a quote for 3-(2,6-Dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,6-Dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,6-Dihydroxycyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.