Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)-
TL;DR: Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)- (CAS 33024-46-3) is a chemical compound with molecular formula C12H14FN3O2S and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dihydro-2H-thiochromen-4-yl)-1-(2-fluoroethyl)-1-nitrosourea
Also Known As: 1- -1-nitroso-3- urea, Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)-, 1-(2-Fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)urea, 5-18-09-00632 (Beilstein Handbook Reference), 3-(3,4-dihydro-2H-thiochromen-4-yl)-1-(2-fluoroethyl)-1-nitrosourea
| Molecular Formula | C12H14FN3O2S |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.07907 |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 33024-46-3 |
|---|---|
| SMILES | C1CSC2=CC=CC=C2C1NC(=O)N(CCF)N=O |
| InChIKey | VPLAJPCKEDNTIT-UHFFFAOYSA-N |
Product Overview
Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)- (CAS 33024-46-3), with molecular formula C12H14FN3O2S and molecular weight 283.08 g/mol. IUPAC: 3-(3,4-dihydro-2H-thiochromen-4-yl)-1-(2-fluoroethyl)-1-nitrosourea.
Chemical Property Profile of Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)-
Property Insights of Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)-. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)-. Following Lipinski's Rule of Five, Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)- has 1 hydrogen bond donor(s) and 5 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, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)-?
The CAS number of Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)- is 33024-46-3.
What is the molecular formula of Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)-?
The molecular formula of Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)- is C12H14FN3O2S.
What is the molecular weight of Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)-?
The molecular weight of Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)- is 283.08 g/mol.
Where can I buy Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)-?
You can request a quote for Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.