Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)-
TL;DR: Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)- (CAS 61137-53-9) is a chemical compound with molecular formula C12H20FN3O4 and molecular weight 289.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[2-fluoroethyl(nitroso)carbamoyl]amino]cyclohexyl]methyl acetate
Also Known As: Urea, trans-, Acetic acid, (E)-, ACETIC ACID, (4-(3-(2-FLUOROETHYL)-3-NITROSOUREIDO)CYCLOHEXYL)METHYL ESTER, (E)-, trans-1-(2-Fluoroethyl)-3-(4-hydroxycyclohexyl)-1-nitrosourea acetate, Urea, 1-(2-fluoroethyl)-3-(4-hydroxycyclohexyl)-1-nitroso-, acetate, (E)-
| Molecular Formula | C12H20FN3O4 |
|---|---|
| Molecular Weight | 289.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.1438 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 61137-53-9 |
|---|---|
| SMILES | CC(=O)OCC1CCC(CC1)NC(=O)N(CCF)N=O |
| InChIKey | DSAIPBQRUPSXOR-UHFFFAOYSA-N |
Product Overview
Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)- (CAS 61137-53-9), with molecular formula C12H20FN3O4 and molecular weight 289.14 g/mol. IUPAC: [4-[[2-fluoroethyl(nitroso)carbamoyl]amino]cyclohexyl]methyl acetate.
Chemical Property Profile of Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)-
Property Insights of Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)-. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)-. Following Lipinski's Rule of Five, Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)- has 1 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 Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)-?
The CAS number of Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)- is 61137-53-9.
What is the molecular formula of Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)-?
The molecular formula of Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)- is C12H20FN3O4.
What is the molecular weight of Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)-?
The molecular weight of Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)- is 289.14 g/mol.
Where can I buy Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)-?
You can request a quote for Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.