麦草畏
TL;DR: 麦草畏 (CAS 1918-00-9) is a chemical compound with molecular formula C8H6Cl2O3 and molecular weight 219.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
麦草畏
3,6-dichloro-2-methoxybenzoic acid
Also Known As: dicamba, 3,6-Dichloro-2-methoxybenzoic acid, Mdba, Mediben, Banvel
| Molecular Formula | C8H6Cl2O3 |
|---|---|
| Molecular Weight | 219.97 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.9694 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
| Melting Point | 237.2 to 116.0 °C |
| Boiling Point | > 200 °C |
| Density | 1.57 g/cu cm at 25 °C |
| Solubility | In water, 8310 mg/L at 25 °C |
| Flash Point | Not Applicable. Not flammable. |
| Vapor Pressure | 0.0000338 [mmHg] |
Chemical Identifiers
| CAS Number | 1918-00-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1C(=O)O)Cl)Cl |
| InChIKey | IWEDIXLBFLAXBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
麦草畏 (CAS 1918-00-9), with molecular formula C8H6Cl2O3 and molecular weight 219.97 g/mol. IUPAC: 3,6-dichloro-2-methoxybenzoic acid.
Chemical Property Profile of 麦草畏
Property Insights of 麦草畏
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 麦草畏. With a topological polar surface area (TPSA) of 46.5 Ų, 麦草畏 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 麦草畏 has 1 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 麦草畏?
The CAS number of 麦草畏 is 1918-00-9.
What is the molecular formula of 麦草畏?
The molecular formula of 麦草畏 is C8H6Cl2O3.
What is the molecular weight of 麦草畏?
The molecular weight of 麦草畏 is 219.97 g/mol.
Where can I buy 麦草畏?
You can request a quote for 麦草畏 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 麦草畏?
Yes, KEHONG BIO provides custom synthesis services for 麦草畏 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.