Urea, 3-(1,2-Benzothiazol-3-yl)-1-tert-butyl-
TL;DR: Urea, 3-(1,2-Benzothiazol-3-yl)-1-tert-butyl- (CAS 104121-48-4) is a chemical compound with molecular formula C12H15N3OS and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,2-benzothiazol-3-yl)-3-tert-butylurea
Also Known As: KST-1A9895, 1-(1,2-benzothiazol-3-yl)-3-tert-butylurea, Urea, 3-(1,2-Benzothiazol-3-yl)-1-tert-butyl-, 3-(1,2-Benzothiazol-3-yl)-1-tert-butylurea, Urea,N-1,2-benzisothiazol-3-yl-N'-ethyl
| Molecular Formula | C12H15N3OS |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.09358 |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 104121-48-4 |
|---|---|
| SMILES | CC(C)(C)NC(=O)NC1=NSC2=CC=CC=C21 |
| InChIKey | HPKBGEICVHCQJH-UHFFFAOYSA-N |
Product Overview
Urea, 3-(1,2-Benzothiazol-3-yl)-1-tert-butyl- (CAS 104121-48-4), with molecular formula C12H15N3OS and molecular weight 249.09 g/mol. IUPAC: 1-(1,2-benzothiazol-3-yl)-3-tert-butylurea.
Chemical Property Profile of Urea, 3-(1,2-Benzothiazol-3-yl)-1-tert-butyl-
Property Insights of Urea, 3-(1,2-Benzothiazol-3-yl)-1-tert-butyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 3-(1,2-Benzothiazol-3-yl)-1-tert-butyl-. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 3-(1,2-Benzothiazol-3-yl)-1-tert-butyl-. Following Lipinski's Rule of Five, Urea, 3-(1,2-Benzothiazol-3-yl)-1-tert-butyl- 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, 3-(1,2-Benzothiazol-3-yl)-1-tert-butyl-?
The CAS number of Urea, 3-(1,2-Benzothiazol-3-yl)-1-tert-butyl- is 104121-48-4.
What is the molecular formula of Urea, 3-(1,2-Benzothiazol-3-yl)-1-tert-butyl-?
The molecular formula of Urea, 3-(1,2-Benzothiazol-3-yl)-1-tert-butyl- is C12H15N3OS.
What is the molecular weight of Urea, 3-(1,2-Benzothiazol-3-yl)-1-tert-butyl-?
The molecular weight of Urea, 3-(1,2-Benzothiazol-3-yl)-1-tert-butyl- is 249.09 g/mol.
Where can I buy Urea, 3-(1,2-Benzothiazol-3-yl)-1-tert-butyl-?
You can request a quote for Urea, 3-(1,2-Benzothiazol-3-yl)-1-tert-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 3-(1,2-Benzothiazol-3-yl)-1-tert-butyl-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 3-(1,2-Benzothiazol-3-yl)-1-tert-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.