Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate
TL;DR: Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate (CAS 57998-76-2) is a chemical compound with molecular formula C12H12Cl2N2O4 and molecular weight 318.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2,5-dichloro-4-(ethoxymethylideneamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]methanimidate
Also Known As: Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate, ethyl N-[2,5-dichloro-4-(ethoxymethylideneamino)-3,6-dioxocy, ethyl N-[2,5-dichloro-4-(ethoxymethylideneamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]methanimidate
| Molecular Formula | C12H12Cl2N2O4 |
|---|---|
| Molecular Weight | 318.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.01743 |
| Heavy Atoms | 20 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 57998-76-2 |
|---|---|
| SMILES | CCOC=NC1=C(C(=O)C(=C(C1=O)Cl)N=COCC)Cl |
| InChIKey | DSASAAGHRLSPQK-UHFFFAOYSA-N |
Product Overview
Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate (CAS 57998-76-2), with molecular formula C12H12Cl2N2O4 and molecular weight 318.02 g/mol. IUPAC: ethyl N-[2,5-dichloro-4-(ethoxymethylideneamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]methanimidate.
Chemical Property Profile of Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate
Property Insights of Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate
The XLogP value of 3.0 indicates that Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate. Following Lipinski's Rule of Five, Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate 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 Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate?
The CAS number of Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate is 57998-76-2.
What is the molecular formula of Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate?
The molecular formula of Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate is C12H12Cl2N2O4.
What is the molecular weight of Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate?
The molecular weight of Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate is 318.02 g/mol.
Where can I buy Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate?
You can request a quote for Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.