灭草松
TL;DR: 灭草松 (CAS 25057-89-0) is a chemical compound with molecular formula C10H12N2O3S and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
灭草松
2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one
Also Known As: Bentazone, bentazon, Basagran, Bendioxide, Leader
| Molecular Formula | C10H12N2O3S |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.05687 |
| Heavy Atoms | 16 |
| Complexity | 385.0 |
| Melting Point | 139.7 °C |
| Density | 1.41 at 20 °C |
| Solubility | Solubility: xylene < 1 g/100 g (at 20 °C). /Technical bentazon/ |
| Vapor Pressure | 0.00000345 [mmHg] |
Chemical Identifiers
| CAS Number | 25057-89-0 |
|---|---|
| SMILES | CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O |
| InChIKey | ZOMSMJKLGFBRBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
灭草松 (CAS 25057-89-0), with molecular formula C10H12N2O3S and molecular weight 240.06 g/mol. IUPAC: 2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one.
Chemical Property Profile of 灭草松
Property Insights of 灭草松
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 灭草松. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 灭草松. Following Lipinski's Rule of Five, 灭草松 has 1 hydrogen bond donor(s) and 4 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 灭草松?
The CAS number of 灭草松 is 25057-89-0.
What is the molecular formula of 灭草松?
The molecular formula of 灭草松 is C10H12N2O3S.
What is the molecular weight of 灭草松?
The molecular weight of 灭草松 is 240.06 g/mol.
Where can I buy 灭草松?
You can request a quote for 灭草松 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 灭草松?
Yes, KEHONG BIO provides custom synthesis services for 灭草松 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.