苯磺菌胺
TL;DR: 苯磺菌胺 (CAS 1085-98-9) is a chemical compound with molecular formula C9H11Cl2FN2O2S2 and molecular weight 331.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯磺菌胺
N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline
Also Known As: DICHLOFLUANID, Dichlofluanide, Elvaron, Euparen, Oiparen
| Molecular Formula | C9H11Cl2FN2O2S2 |
|---|---|
| Molecular Weight | 331.96 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.9623 |
| Heavy Atoms | 18 |
| Complexity | 367.0 |
| Melting Point | 105-105.6 °C |
| Solubility | INSOL IN WATER; 1.5% IN METHANOL; 7% IN XYLENE |
| Vapor Pressure | 0.00000011 [mmHg] |
Chemical Identifiers
| CAS Number | 1085-98-9 |
|---|---|
| SMILES | CN(C)S(=O)(=O)N(C1=CC=CC=C1)SC(F)(Cl)Cl |
| InChIKey | WURGXGVFSMYFCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯磺菌胺 (CAS 1085-98-9), with molecular formula C9H11Cl2FN2O2S2 and molecular weight 331.96 g/mol. IUPAC: N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline.
Chemical Property Profile of 苯磺菌胺
Property Insights of 苯磺菌胺
The XLogP value of 3.6 indicates that 苯磺菌胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯磺菌胺. Following Lipinski's Rule of Five, 苯磺菌胺 has 0 hydrogen bond donor(s) and 6 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 苯磺菌胺?
The CAS number of 苯磺菌胺 is 1085-98-9.
What is the molecular formula of 苯磺菌胺?
The molecular formula of 苯磺菌胺 is C9H11Cl2FN2O2S2.
What is the molecular weight of 苯磺菌胺?
The molecular weight of 苯磺菌胺 is 331.96 g/mol.
Where can I buy 苯磺菌胺?
You can request a quote for 苯磺菌胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯磺菌胺?
Yes, KEHONG BIO provides custom synthesis services for 苯磺菌胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.