1-Butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea
TL;DR: 1-Butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea (CAS 105734-49-4) is a chemical compound with molecular formula C13H17N3OS and molecular weight 263.10922 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea
Also Known As: 1-Butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea, Urea,N-butyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-, N-Butyl-N'-(5-methyl-1,2-benzothiazol-3-yl)urea, 1-butyl-3-(3-methyl-7-thia-8-azabicyclo[4.3.0]nona-2,4,8,10-tetraen-9-yl)urea, tert-Butyl 4-chloro-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate
Technical Specifications
| Molecular Formula | C13H17N3OS |
| Molecular Weight | 263.10922 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.10922 Da |
| Heavy Atoms | 18 |
| Complexity | 287.0 |
| SMILES | CCCCNC(=O)NC1=NSC2=C1C=C(C=C2)C |
| InChIKey | DHVHKZICMCMPCW-UHFFFAOYSA-N |
Chemical Property Profile of 1-Butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea
Property Insights of 1-Butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea
The XLogP value of 3.3 indicates that 1-Butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea. Following Lipinski's Rule of Five, 1-Butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea 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
What is the CAS number of 1-Butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea?
The CAS number of 1-Butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea is 105734-49-4.
What is the molecular formula of 1-Butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea?
The molecular formula of 1-Butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea is C13H17N3OS.
What is the molecular weight of 1-Butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea?
The molecular weight of 1-Butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea is 263.10922 g/mol.
Where can I buy 1-Butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea?
You can request a quote for 1-Butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea?
Yes, CoreyChem provides custom synthesis services for 1-Butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.