1-(3-Bromophenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
TL;DR: 1-(3-Bromophenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea (CAS 507459-46-3) is a chemical compound with molecular formula C12H15BrN2O3S and molecular weight 346.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromophenyl)-3-(3-methyl-1,1-dioxothiolan-3-yl)urea
Also Known As: 1-(3-bromophenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea, 1-(3-bromophenyl)-3-(3-methyl-1,1-dioxothiolan-3-yl)urea, [(3-bromophenyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)carboxamide
| Molecular Formula | C12H15BrN2O3S |
|---|---|
| Molecular Weight | 346.00 g/mol |
| LogP | 2.1478 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.9987 |
| Heavy Atoms | 19 |
| Complexity | 602.747 |
Chemical Identifiers
| CAS Number | 507459-46-3 |
|---|---|
| SMILES | CC1(CCS(=O)(=O)C1)NC(=O)NC2=CC(=CC=C2)Br |
Product Overview
1-(3-Bromophenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea (CAS 507459-46-3), with molecular formula C12H15BrN2O3S and molecular weight 346.00 g/mol. IUPAC: 1-(3-bromophenyl)-3-(3-methyl-1,1-dioxothiolan-3-yl)urea.
Chemical Property Profile of 1-(3-Bromophenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
Property Insights of 1-(3-Bromophenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
The XLogP value of 2.1478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Bromophenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Bromophenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea. Following Lipinski's Rule of Five, 1-(3-Bromophenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea has 2 hydrogen bond donor(s) and 3 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-(3-Bromophenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea?
The CAS number of 1-(3-Bromophenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea is 507459-46-3.
What is the molecular formula of 1-(3-Bromophenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea?
The molecular formula of 1-(3-Bromophenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea is C12H15BrN2O3S.
What is the molecular weight of 1-(3-Bromophenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea?
The molecular weight of 1-(3-Bromophenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea is 346.00 g/mol.
Where can I buy 1-(3-Bromophenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea?
You can request a quote for 1-(3-Bromophenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Bromophenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Bromophenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.