Bentaluron
TL;DR: Bentaluron (CAS 28956-64-1) is a chemical compound with molecular formula C11H13N3OS and molecular weight 235.08 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-propan-2-ylurea
Also Known As: Bentaluron, Bentaluron [ISO], 1-(1,3-benzothiazol-2-yl)-3-propan-2-ylurea, 1-(1,3-benzothiazol-2-yl)-3-(propan-2-yl)urea, 1-(Benzothiazol-2-yl)-3-isopropylurea
| Molecular Formula | C11H13N3OS |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 2.8262 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.07793 |
| Heavy Atoms | 16 |
| Complexity | 473.6539 |
Chemical Identifiers
| CAS Number | 28956-64-1 |
|---|---|
| SMILES | CC(C)NC(=O)NC1=NC2=CC=CC=C2S1 |
Product Overview
Bentaluron (CAS 28956-64-1), with molecular formula C11H13N3OS and molecular weight 235.08 g/mol. IUPAC: 1-(1,3-benzothiazol-2-yl)-3-propan-2-ylurea.
Chemical Property Profile of Bentaluron
Property Insights of Bentaluron
The XLogP value of 2.8262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bentaluron. With a topological polar surface area (TPSA) of 54.02 Ų, Bentaluron exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bentaluron 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 Bentaluron?
The CAS number of Bentaluron is 28956-64-1.
What is the molecular formula of Bentaluron?
The molecular formula of Bentaluron is C11H13N3OS.
What is the molecular weight of Bentaluron?
The molecular weight of Bentaluron is 235.08 g/mol.
Where can I buy Bentaluron?
You can request a quote for Bentaluron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bentaluron?
Yes, KEHONG BIO provides custom synthesis services for Bentaluron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.