Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl-
TL;DR: Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl- (CAS 96018-28-9) is a chemical compound with molecular formula C12H12ClN3O2S and molecular weight 297.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]-1-methoxy-1-methylurea
Also Known As: N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea, N'-[3-(4-Chlorophenyl)-5-isothiazolyl]-N-methoxy-N-methylurea, Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl-, 3-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]-1-methoxy-1-methylurea, 3-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]-1-methoxy-1-methyl-urea
| Molecular Formula | C12H12ClN3O2S |
|---|---|
| Molecular Weight | 297.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.03387 |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 96018-28-9 |
|---|---|
| SMILES | CN(C(=O)NC1=CC(=NS1)C2=CC=C(C=C2)Cl)OC |
| InChIKey | WLOXCYAHNNLCDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl- (CAS 96018-28-9), with molecular formula C12H12ClN3O2S and molecular weight 297.03 g/mol. IUPAC: 3-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]-1-methoxy-1-methylurea.
Chemical Property Profile of Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl-
Property Insights of Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl-. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl-. Following Lipinski's Rule of Five, Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl- 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'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl-?
The CAS number of Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl- is 96018-28-9.
What is the molecular formula of Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl-?
The molecular formula of Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl- is C12H12ClN3O2S.
What is the molecular weight of Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl-?
The molecular weight of Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl- is 297.03 g/mol.
Where can I buy Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl-?
You can request a quote for Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.