Gramocil
TL;DR: Gramocil (CAS 6672-65-7) is a chemical compound with molecular formula C21H24Cl2N4O+2 and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium
Also Known As: Gramocil, Diuron-paraquat mixture, Diuron - paraquat mixture, Paraquat - diuron mixture, 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium
| Molecular Formula | C21H24Cl2N4O+2 |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | 4.0895 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.13272 |
| Heavy Atoms | 28 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 6672-65-7 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl |
| InChIKey | MPDSUDWRJXUKFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gramocil (CAS 6672-65-7), with molecular formula C21H24Cl2N4O+2 and molecular weight 418.13 g/mol. IUPAC: 3-(3,4-dichlorophenyl)-1,1-dimethylurea;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium.
Chemical Property Profile of Gramocil
Property Insights of Gramocil
The XLogP value of 4.0895 indicates that Gramocil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.1 Ų, Gramocil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Gramocil has 1 hydrogen bond donor(s) and 1 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 Gramocil?
The CAS number of Gramocil is 6672-65-7.
What is the molecular formula of Gramocil?
The molecular formula of Gramocil is C21H24Cl2N4O+2.
What is the molecular weight of Gramocil?
The molecular weight of Gramocil is 418.13 g/mol.
Where can I buy Gramocil?
You can request a quote for Gramocil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gramocil?
Yes, KEHONG BIO provides custom synthesis services for Gramocil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.