N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride
TL;DR: N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride (CAS 96018-10-9) is a chemical compound with molecular formula C15H19Cl2N3OS and molecular weight 359.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-3-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]-1-methylurea;hydrochloride
Also Known As: N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride, Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methyl-N-(1-methylpropyl)-, monohydrochloride, 1-butan-2-yl-3-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]-1-methyl-urea Hydrochloride, 1-butan-2-yl-3-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]-1-methylurea hydrochloride, N'-[3-(4-Chlorophenyl)-5-isothiazolyl]-N-methyl-N-sec-butylurea monohydrochloride
| Molecular Formula | C15H19Cl2N3OS |
|---|---|
| Molecular Weight | 359.06 g/mol |
| LogP | 5.1475 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.0626 |
| Heavy Atoms | 22 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 96018-10-9 |
|---|---|
| SMILES | CCC(C)N(C)C(=O)NC1=CC(=NS1)C2=CC=C(C=C2)Cl.Cl |
| InChIKey | ZRSFNTVZXKDFLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride (CAS 96018-10-9), with molecular formula C15H19Cl2N3OS and molecular weight 359.06 g/mol. IUPAC: 1-butan-2-yl-3-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]-1-methylurea;hydrochloride.
Chemical Property Profile of N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride
Property Insights of N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride
The XLogP value of 5.1475 indicates that N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride. Following Lipinski's Rule of Five, N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride?
The CAS number of N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride is 96018-10-9.
What is the molecular formula of N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride?
The molecular formula of N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride is C15H19Cl2N3OS.
What is the molecular weight of N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride?
The molecular weight of N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride is 359.06 g/mol.
Where can I buy N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride?
You can request a quote for N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride 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-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.