Urea, N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-
TL;DR: Urea, N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)- (CAS 116145-93-8) is a chemical compound with molecular formula C10H11N3OS and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea
Also Known As: Benzene,4-cyclopentyl-1,2-dimethoxy, 1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea, Urea, N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-, Urea,N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-, N-Methyl-N'-(5-methyl-1,2-benzothiazol-3-yl)urea
| Molecular Formula | C10H11N3OS |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.06229 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 116145-93-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SN=C2NC(=O)NC |
| InChIKey | KFYMEKSEMPSBIV-UHFFFAOYSA-N |
Product Overview
Urea, N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)- (CAS 116145-93-8), with molecular formula C10H11N3OS and molecular weight 221.06 g/mol. IUPAC: 1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea.
Chemical Property Profile of Urea, N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-
Property Insights of Urea, N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-. Following Lipinski's Rule of Five, Urea, N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)- has 2 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 Urea, N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-?
The CAS number of Urea, N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)- is 116145-93-8.
What is the molecular formula of Urea, N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-?
The molecular formula of Urea, N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)- is C10H11N3OS.
What is the molecular weight of Urea, N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-?
The molecular weight of Urea, N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)- is 221.06 g/mol.
Where can I buy Urea, N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-?
You can request a quote for Urea, N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.