N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea
TL;DR: N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea (CAS 96017-97-9) is a chemical compound with molecular formula C12H12FN3O2S and molecular weight 281.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-1-methoxy-1-methylurea
Also Known As: N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea, N'-[3-(4-Fluorophenyl)-5-isothiazolyl]-N-methoxy-N-methylurea, 3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-1-methoxy-1-methylurea, Urea, N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl-, 3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-1-methoxy-1-methyl-urea
| Molecular Formula | C12H12FN3O2S |
|---|---|
| Molecular Weight | 281.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.06342 |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 96017-97-9 |
|---|---|
| SMILES | CN(C(=O)NC1=CC(=NS1)C2=CC=C(C=C2)F)OC |
| InChIKey | OPIOHFQVEWKHPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea (CAS 96017-97-9), with molecular formula C12H12FN3O2S and molecular weight 281.06 g/mol. IUPAC: 3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-1-methoxy-1-methylurea.
Chemical Property Profile of N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea
Property Insights of N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea. Following Lipinski's Rule of Five, N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea 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 N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea?
The CAS number of N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea is 96017-97-9.
What is the molecular formula of N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea?
The molecular formula of N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea is C12H12FN3O2S.
What is the molecular weight of N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea?
The molecular weight of N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea is 281.06 g/mol.
Where can I buy N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea?
You can request a quote for N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea?
Yes, KEHONG BIO provides custom synthesis services for N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.