1-(3-Chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea
TL;DR: 1-(3-Chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea (CAS 476295-18-8) is a chemical compound with molecular formula C17H16ClN3O2S and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea
Also Known As: 1-(3-chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea, 1-(3-chlorophenyl)-3-[(2E)-6-ethoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]urea
| Molecular Formula | C17H16ClN3O2S |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 4.4247 |
| Topological Polar Surface Area | 55.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.0652 |
| Heavy Atoms | 24 |
| Complexity | 961.8692 |
Chemical Identifiers
| CAS Number | 476295-18-8 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(=NC(=O)NC3=CC(=CC=C3)Cl)S2)C |
Product Overview
1-(3-Chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea (CAS 476295-18-8), with molecular formula C17H16ClN3O2S and molecular weight 361.07 g/mol. IUPAC: 1-(3-chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea.
Chemical Property Profile of 1-(3-Chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea
Property Insights of 1-(3-Chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea
The XLogP value of 4.4247 indicates that 1-(3-Chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.62 Ų, 1-(3-Chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea has 1 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-Chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea?
The CAS number of 1-(3-Chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea is 476295-18-8.
What is the molecular formula of 1-(3-Chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea?
The molecular formula of 1-(3-Chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea is C17H16ClN3O2S.
What is the molecular weight of 1-(3-Chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea?
The molecular weight of 1-(3-Chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea is 361.07 g/mol.
Where can I buy 1-(3-Chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea?
You can request a quote for 1-(3-Chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)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-Chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-3-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.