3-(3-Methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea
TL;DR: 3-(3-Methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea (CAS 104121-68-8) 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.
3-(3-methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea
Also Known As: 3-(3-methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea, Urea, 3-(3-methoxy-1,2-benzothiazol-7-yl)-1,1-dimethyl-, N'-(3-Methoxy-1,2-benzothiazol-7-yl)-N,N-dimethylurea, Urea, N'-(3-methoxy-1,2-benzisothiazol-7-yl)-N,N-dimethyl-, 3-(7-methoxy-9-thia-8-azabicyclo[4.3.0]nona-2,4,7,10-tetraen-2-yl)-1,1-dimethyl-urea
| Molecular Formula | C11H13N3O2S |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.07285 |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 104121-68-8 |
|---|---|
| SMILES | CN(C)C(=O)NC1=CC=CC2=C1SN=C2OC |
| InChIKey | GEJUTTMEJOKLGW-UHFFFAOYSA-N |
Product Overview
3-(3-Methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea (CAS 104121-68-8), with molecular formula C11H13N3O2S and molecular weight 251.07 g/mol. IUPAC: 3-(3-methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea.
Chemical Property Profile of 3-(3-Methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea
Property Insights of 3-(3-Methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea. Following Lipinski's Rule of Five, 3-(3-Methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea 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 3-(3-Methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea?
The CAS number of 3-(3-Methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea is 104121-68-8.
What is the molecular formula of 3-(3-Methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea?
The molecular formula of 3-(3-Methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea is C11H13N3O2S.
What is the molecular weight of 3-(3-Methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea?
The molecular weight of 3-(3-Methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea is 251.07 g/mol.
Where can I buy 3-(3-Methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea?
You can request a quote for 3-(3-Methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methoxy-1,2-benzothiazol-7-yl)-1,1-dimethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.