Urea, N-methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)-
TL;DR: Urea, N-methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)- (CAS 96017-88-8) is a chemical compound with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-1-methyl-3-[3-(4-methylphenyl)-1,2-thiazol-5-yl]urea
Also Known As: N-Methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)urea, N-Methoxy-N-methyl-N'-(3-(p-tolyl)-5-isothiazolyl)urea, N-Methoxy-N-methyl-N'-[3-(p-tolyl)-5-isothiazolyl]urea, Urea, N-methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)-, 1-methoxy-1-methyl-3-[3-(4-methylphenyl)-1,2-thiazol-5-yl]urea
| Molecular Formula | C13H15N3O2S |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0885 |
| Heavy Atoms | 19 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 96017-88-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NSC(=C2)NC(=O)N(C)OC |
| InChIKey | WRURXLMTKAYHJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Urea, N-methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)- (CAS 96017-88-8), with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol. IUPAC: 1-methoxy-1-methyl-3-[3-(4-methylphenyl)-1,2-thiazol-5-yl]urea.
Chemical Property Profile of Urea, N-methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)-
Property Insights of Urea, N-methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)-. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)-. Following Lipinski's Rule of Five, Urea, N-methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)- has 1 hydrogen bond donor(s) and 4 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-methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)-?
The CAS number of Urea, N-methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)- is 96017-88-8.
What is the molecular formula of Urea, N-methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)-?
The molecular formula of Urea, N-methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)- is C13H15N3O2S.
What is the molecular weight of Urea, N-methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)-?
The molecular weight of Urea, N-methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)- is 277.09 g/mol.
Where can I buy Urea, N-methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)-?
You can request a quote for Urea, N-methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-methoxy-N-methyl-N'-(3-(4-methylphenyl)-5-isothiazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.