Dichlormate
TL;DR: Dichlormate (CAS 1966-58-1) is a chemical compound with molecular formula C9H9Cl2NO2 and molecular weight 233.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dichlorophenyl)methyl N-methylcarbamate
Also Known As: Dichlormate, Sirmate, 3,4-Sirmate, Dichlormate [ISO], Rowmate
| Molecular Formula | C9H9Cl2NO2 |
|---|---|
| Molecular Weight | 233.00 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.00104 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 1966-58-1 |
|---|---|
| SMILES | CNC(=O)OCC1=CC(=C(C=C1)Cl)Cl |
| InChIKey | DSVOTYIOPGIVPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dichlormate (CAS 1966-58-1), with molecular formula C9H9Cl2NO2 and molecular weight 233.00 g/mol. IUPAC: (3,4-dichlorophenyl)methyl N-methylcarbamate.
Chemical Property Profile of Dichlormate
Property Insights of Dichlormate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dichlormate. With a topological polar surface area (TPSA) of 38.3 Ų, Dichlormate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dichlormate has 1 hydrogen bond donor(s) and 2 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 Dichlormate?
The CAS number of Dichlormate is 1966-58-1.
What is the molecular formula of Dichlormate?
The molecular formula of Dichlormate is C9H9Cl2NO2.
What is the molecular weight of Dichlormate?
The molecular weight of Dichlormate is 233.00 g/mol.
Where can I buy Dichlormate?
You can request a quote for Dichlormate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dichlormate?
Yes, KEHONG BIO provides custom synthesis services for Dichlormate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.