N-2-Benzothiazolyl-N'-butylurea
TL;DR: N-2-Benzothiazolyl-N'-butylurea (CAS 28956-65-2) 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-(1,3-benzothiazol-2-yl)-3-butylurea
Also Known As: 1- -3-butylurea, Urea, 1-(2-benzothiazolyl)-3-butyl-, N-2-Benzothiazolyl-N'-butylurea, 1-(2-Benzothiazolyl)-3-butyl urea, urea, n-2-benzothiazolyl-n'-butyl-
| Molecular Formula | C12H15N3OS |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.09358 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 28956-65-2 |
|---|---|
| SMILES | CCCCNC(=O)NC1=NC2=CC=CC=C2S1 |
| InChIKey | WCACAOOHRJEGAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-2-Benzothiazolyl-N'-butylurea (CAS 28956-65-2), with molecular formula C12H15N3OS and molecular weight 249.09 g/mol. IUPAC: 1-(1,3-benzothiazol-2-yl)-3-butylurea.
Chemical Property Profile of N-2-Benzothiazolyl-N'-butylurea
Property Insights of N-2-Benzothiazolyl-N'-butylurea
The XLogP value of 3.0 indicates that N-2-Benzothiazolyl-N'-butylurea 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 N-2-Benzothiazolyl-N'-butylurea. Following Lipinski's Rule of Five, N-2-Benzothiazolyl-N'-butylurea 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 N-2-Benzothiazolyl-N'-butylurea?
The CAS number of N-2-Benzothiazolyl-N'-butylurea is 28956-65-2.
What is the molecular formula of N-2-Benzothiazolyl-N'-butylurea?
The molecular formula of N-2-Benzothiazolyl-N'-butylurea is C12H15N3OS.
What is the molecular weight of N-2-Benzothiazolyl-N'-butylurea?
The molecular weight of N-2-Benzothiazolyl-N'-butylurea is 249.09 g/mol.
Where can I buy N-2-Benzothiazolyl-N'-butylurea?
You can request a quote for N-2-Benzothiazolyl-N'-butylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-2-Benzothiazolyl-N'-butylurea?
Yes, KEHONG BIO provides custom synthesis services for N-2-Benzothiazolyl-N'-butylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.