1-Methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea
TL;DR: 1-Methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea (CAS 113547-99-2) is a chemical compound with molecular formula C11H13N3O3S and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea
Also Known As: 1-methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea, Urea, 1-methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methyl-, Urea,N'-1,2-benzisothiazol-3-yl-N-methoxy-N-methyl, Urea,N-methoxy-N'-(3-methoxy-1,2-benzisothiazol-7-yl)-N-methyl-, N-Methoxy-N'-(3-methoxy-1,2-benzothiazol-7-yl)-N-methylurea
| Molecular Formula | C11H13N3O3S |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.06775 |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 113547-99-2 |
|---|---|
| SMILES | CN(C(=O)NC1=CC=CC2=C1SN=C2OC)OC |
| InChIKey | DATWZEUGZBVFPP-UHFFFAOYSA-N |
Product Overview
1-Methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea (CAS 113547-99-2), with molecular formula C11H13N3O3S and molecular weight 267.07 g/mol. IUPAC: 1-methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea.
Chemical Property Profile of 1-Methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea
Property Insights of 1-Methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea. Following Lipinski's Rule of Five, 1-Methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea has 1 hydrogen bond donor(s) and 5 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-Methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea?
The CAS number of 1-Methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea is 113547-99-2.
What is the molecular formula of 1-Methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea?
The molecular formula of 1-Methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea is C11H13N3O3S.
What is the molecular weight of 1-Methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea?
The molecular weight of 1-Methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea is 267.07 g/mol.
Where can I buy 1-Methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea?
You can request a quote for 1-Methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.