Chloraniformethan
TL;DR: Chloraniformethan (CAS 20856-57-9) is a chemical compound with molecular formula C9H7Cl5N2O and molecular weight 333.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2,2-trichloro-1-(3,4-dichloroanilino)ethyl]formamide
Also Known As: Chloraniformethan, Chloraniformethane, Milfaron, IMUGAN, Chloraniformethan [ISO]
| Molecular Formula | C9H7Cl5N2O |
|---|---|
| Molecular Weight | 333.90 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.89716 |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 20856-57-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(C(Cl)(Cl)Cl)NC=O)Cl)Cl |
| InChIKey | REEFSLKDEDEWAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloraniformethan (CAS 20856-57-9), with molecular formula C9H7Cl5N2O and molecular weight 333.90 g/mol. IUPAC: N-[2,2,2-trichloro-1-(3,4-dichloroanilino)ethyl]formamide.
Chemical Property Profile of Chloraniformethan
Property Insights of Chloraniformethan
The XLogP value of 5.1 indicates that Chloraniformethan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, Chloraniformethan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloraniformethan has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chloraniformethan?
The CAS number of Chloraniformethan is 20856-57-9.
What is the molecular formula of Chloraniformethan?
The molecular formula of Chloraniformethan is C9H7Cl5N2O.
What is the molecular weight of Chloraniformethan?
The molecular weight of Chloraniformethan is 333.90 g/mol.
Where can I buy Chloraniformethan?
You can request a quote for Chloraniformethan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloraniformethan?
Yes, KEHONG BIO provides custom synthesis services for Chloraniformethan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.