Urea, N'-(2-chloroethyl)-N-nitroso-N-(tetrahydro-1,1-dioxido-3-thienyl)-
TL;DR: Urea, N'-(2-chloroethyl)-N-nitroso-N-(tetrahydro-1,1-dioxido-3-thienyl)- (CAS 56513-74-7) is a chemical compound with molecular formula C7H12ClN3O4S and molecular weight 269.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloroethyl)-1-(1,1-dioxothiolan-3-yl)-1-nitrosourea
Also Known As: 2-Amino-3-butenoicacid, 3-(2-chloroethyl)-1-(1,1-dioxothiolan-3-yl)-1-nitrosourea, Urea, N'-(2-chloroethyl)-N-nitroso-N-(tetrahydro-1,1-dioxido-3-thienyl)-, 3-(2-chloroethyl)-1-(1,1-dioxothiolan-3-yl)-1-nitroso-urea, N'-(2-Chloroethyl)-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-nitrosourea
| Molecular Formula | C7H12ClN3O4S |
|---|---|
| Molecular Weight | 269.02 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.0237 |
| Heavy Atoms | 16 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 56513-74-7 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N(C(=O)NCCCl)N=O |
| InChIKey | AFXRWIJNXUBBHS-UHFFFAOYSA-N |
Product Overview
Urea, N'-(2-chloroethyl)-N-nitroso-N-(tetrahydro-1,1-dioxido-3-thienyl)- (CAS 56513-74-7), with molecular formula C7H12ClN3O4S and molecular weight 269.02 g/mol. IUPAC: 3-(2-chloroethyl)-1-(1,1-dioxothiolan-3-yl)-1-nitrosourea.
Chemical Property Profile of Urea, N'-(2-chloroethyl)-N-nitroso-N-(tetrahydro-1,1-dioxido-3-thienyl)-
Property Insights of Urea, N'-(2-chloroethyl)-N-nitroso-N-(tetrahydro-1,1-dioxido-3-thienyl)-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N'-(2-chloroethyl)-N-nitroso-N-(tetrahydro-1,1-dioxido-3-thienyl)-. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N'-(2-chloroethyl)-N-nitroso-N-(tetrahydro-1,1-dioxido-3-thienyl)-. Following Lipinski's Rule of Five, Urea, N'-(2-chloroethyl)-N-nitroso-N-(tetrahydro-1,1-dioxido-3-thienyl)- 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, N'-(2-chloroethyl)-N-nitroso-N-(tetrahydro-1,1-dioxido-3-thienyl)-?
The CAS number of Urea, N'-(2-chloroethyl)-N-nitroso-N-(tetrahydro-1,1-dioxido-3-thienyl)- is 56513-74-7.
What is the molecular formula of Urea, N'-(2-chloroethyl)-N-nitroso-N-(tetrahydro-1,1-dioxido-3-thienyl)-?
The molecular formula of Urea, N'-(2-chloroethyl)-N-nitroso-N-(tetrahydro-1,1-dioxido-3-thienyl)- is C7H12ClN3O4S.
What is the molecular weight of Urea, N'-(2-chloroethyl)-N-nitroso-N-(tetrahydro-1,1-dioxido-3-thienyl)-?
The molecular weight of Urea, N'-(2-chloroethyl)-N-nitroso-N-(tetrahydro-1,1-dioxido-3-thienyl)- is 269.02 g/mol.
Where can I buy Urea, N'-(2-chloroethyl)-N-nitroso-N-(tetrahydro-1,1-dioxido-3-thienyl)-?
You can request a quote for Urea, N'-(2-chloroethyl)-N-nitroso-N-(tetrahydro-1,1-dioxido-3-thienyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N'-(2-chloroethyl)-N-nitroso-N-(tetrahydro-1,1-dioxido-3-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N'-(2-chloroethyl)-N-nitroso-N-(tetrahydro-1,1-dioxido-3-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.