Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso-
TL;DR: Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso- (CAS 33024-47-4) is a chemical compound with molecular formula C7H12FN3O2S2 and molecular weight 253.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-dithian-5-yl)-1-(2-fluoroethyl)-1-nitrosourea
Also Known As: NSC 132,085, Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, 1-(m-Dithian-5-yl)-3-(2-fluoroethyl)-3-nitrosourea, 3-(m-Dithian-5-yl)-1-(2-fluoroethyl)-1-nitrosourea, 5-19-08-00349 (Beilstein Handbook Reference)
| Molecular Formula | C7H12FN3O2S2 |
|---|---|
| Molecular Weight | 253.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.03549 |
| Heavy Atoms | 15 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 33024-47-4 |
|---|---|
| SMILES | C1C(CSCS1)NC(=O)N(CCF)N=O |
| InChIKey | PRVVGOHCHSLWDE-UHFFFAOYSA-N |
Product Overview
Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso- (CAS 33024-47-4), with molecular formula C7H12FN3O2S2 and molecular weight 253.04 g/mol. IUPAC: 3-(1,3-dithian-5-yl)-1-(2-fluoroethyl)-1-nitrosourea.
Chemical Property Profile of Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso-
Property Insights of Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso-. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso-. Following Lipinski's Rule of Five, Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso- 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 Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso-?
The CAS number of Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso- is 33024-47-4.
What is the molecular formula of Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso-?
The molecular formula of Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso- is C7H12FN3O2S2.
What is the molecular weight of Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso-?
The molecular weight of Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso- is 253.04 g/mol.
Where can I buy Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso-?
You can request a quote for Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.