1-(1,1-Dioxothiolan-3-yl)-3-(3-nitrophenyl)urea
TL;DR: 1-(1,1-Dioxothiolan-3-yl)-3-(3-nitrophenyl)urea (CAS 443652-86-6) is a chemical compound with molecular formula C11H13N3O5S and molecular weight 299.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1-dioxothiolan-3-yl)-3-(3-nitrophenyl)urea
Also Known As: 1-(1,1-dioxothiolan-3-yl)-3-(3-nitrophenyl)urea, 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(3-nitrophenyl)urea, 3-(1,1-dioxo-1lambda6-thiolan-3-yl)-1-(3-nitrophenyl)urea, [(1,1-dioxothiolan-3-yl)amino]-N-(3-nitrophenyl)carboxamide, N-(1,1-dioxidotetrahydro-3-thienyl)-N'-(3-nitrophenyl)urea
| Molecular Formula | C11H13N3O5S |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | 0.9034 |
| Topological Polar Surface Area | 118.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.0576 |
| Heavy Atoms | 20 |
| Complexity | 643.2136 |
Chemical Identifiers
| CAS Number | 443652-86-6 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
1-(1,1-Dioxothiolan-3-yl)-3-(3-nitrophenyl)urea (CAS 443652-86-6), with molecular formula C11H13N3O5S and molecular weight 299.06 g/mol. IUPAC: 1-(1,1-dioxothiolan-3-yl)-3-(3-nitrophenyl)urea.
Chemical Property Profile of 1-(1,1-Dioxothiolan-3-yl)-3-(3-nitrophenyl)urea
Property Insights of 1-(1,1-Dioxothiolan-3-yl)-3-(3-nitrophenyl)urea
The XLogP value of 0.9034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,1-Dioxothiolan-3-yl)-3-(3-nitrophenyl)urea. The TPSA of 118.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,1-Dioxothiolan-3-yl)-3-(3-nitrophenyl)urea. Following Lipinski's Rule of Five, 1-(1,1-Dioxothiolan-3-yl)-3-(3-nitrophenyl)urea has 2 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 1-(1,1-Dioxothiolan-3-yl)-3-(3-nitrophenyl)urea?
The CAS number of 1-(1,1-Dioxothiolan-3-yl)-3-(3-nitrophenyl)urea is 443652-86-6.
What is the molecular formula of 1-(1,1-Dioxothiolan-3-yl)-3-(3-nitrophenyl)urea?
The molecular formula of 1-(1,1-Dioxothiolan-3-yl)-3-(3-nitrophenyl)urea is C11H13N3O5S.
What is the molecular weight of 1-(1,1-Dioxothiolan-3-yl)-3-(3-nitrophenyl)urea?
The molecular weight of 1-(1,1-Dioxothiolan-3-yl)-3-(3-nitrophenyl)urea is 299.06 g/mol.
Where can I buy 1-(1,1-Dioxothiolan-3-yl)-3-(3-nitrophenyl)urea?
You can request a quote for 1-(1,1-Dioxothiolan-3-yl)-3-(3-nitrophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,1-Dioxothiolan-3-yl)-3-(3-nitrophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1-Dioxothiolan-3-yl)-3-(3-nitrophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.