1-Ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea
TL;DR: 1-Ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea (CAS 104121-57-5) is a chemical compound with molecular formula C11H13N3O2S and molecular weight 251.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea
Also Known As: 1-ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea, ethyl 1,2-benzothiazol-3-ylcarbamate, Urea, 1-ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)-, Urea,N-ethyl-N'-(3-methoxy-1,2-benzisothiazol-5-yl)-, N-Ethyl-N'-(3-methoxy-1,2-benzothiazol-5-yl)urea
| Molecular Formula | C11H13N3O2S |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 91.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.07285 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 104121-57-5 |
|---|---|
| SMILES | CCNC(=O)NC1=CC2=C(C=C1)SN=C2OC |
| InChIKey | NQJNGPJKFOULKM-UHFFFAOYSA-N |
Product Overview
1-Ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea (CAS 104121-57-5), with molecular formula C11H13N3O2S and molecular weight 251.07 g/mol. IUPAC: 1-ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea.
Chemical Property Profile of 1-Ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea
Property Insights of 1-Ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea. Following Lipinski's Rule of Five, 1-Ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea has 2 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 1-Ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea?
The CAS number of 1-Ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea is 104121-57-5.
What is the molecular formula of 1-Ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea?
The molecular formula of 1-Ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea is C11H13N3O2S.
What is the molecular weight of 1-Ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea?
The molecular weight of 1-Ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea is 251.07 g/mol.
Where can I buy 1-Ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea?
You can request a quote for 1-Ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.