5,6,7,8-Tetrachloro-1,4-dihydro-1,4-epimino-9-(1,1-dimethylethyl)naphthalene-2,3-dicarboxylic acid dimethyl ester
TL;DR: 5,6,7,8-Tetrachloro-1,4-dihydro-1,4-epimino-9-(1,1-dimethylethyl)naphthalene-2,3-dicarboxylic acid dimethyl ester (CAS 60857-31-0) is a chemical compound with molecular formula C18H17Cl4NO4 and molecular weight 450.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 11-tert-butyl-3,4,5,6-tetrachloro-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate
Also Known As: 5,6,7,8-Tetrachloro-1,4-dihydro-1,4-epimino-9-(1,1-dimethylethyl)naphthalene-2,3-dicarboxylic acid dimethyl ester, Naphthalen-1,4-imine-2,3-dicarboxylic acid, 5,6,7,8-tetrachloro-9-(1,1-dimethylethyl)-1,4-dihydro-, dimethyl ester, 9,10-dimethyl 11-tert-butyl-3,4,5,6-tetrachloro-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate
| Molecular Formula | C18H17Cl4NO4 |
|---|---|
| Molecular Weight | 450.99 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.99118 |
| Heavy Atoms | 27 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 60857-31-0 |
|---|---|
| SMILES | CC(C)(C)N1C2C3=C(C1C(=C2C(=O)OC)C(=O)OC)C(=C(C(=C3Cl)Cl)Cl)Cl |
| InChIKey | CKEQHPYNUWZHDH-UHFFFAOYSA-N |
Product Overview
5,6,7,8-Tetrachloro-1,4-dihydro-1,4-epimino-9-(1,1-dimethylethyl)naphthalene-2,3-dicarboxylic acid dimethyl ester (CAS 60857-31-0), with molecular formula C18H17Cl4NO4 and molecular weight 450.99 g/mol. IUPAC: dimethyl 11-tert-butyl-3,4,5,6-tetrachloro-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate.
Chemical Property Profile of 5,6,7,8-Tetrachloro-1,4-dihydro-1,4-epimino-9-(1,1-dimethylethyl)naphthalene-2,3-dicarboxylic acid dimethyl ester
Property Insights of 5,6,7,8-Tetrachloro-1,4-dihydro-1,4-epimino-9-(1,1-dimethylethyl)naphthalene-2,3-dicarboxylic acid dimethyl ester
The XLogP value of 4.6 indicates that 5,6,7,8-Tetrachloro-1,4-dihydro-1,4-epimino-9-(1,1-dimethylethyl)naphthalene-2,3-dicarboxylic acid dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 5,6,7,8-Tetrachloro-1,4-dihydro-1,4-epimino-9-(1,1-dimethylethyl)naphthalene-2,3-dicarboxylic acid dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7,8-Tetrachloro-1,4-dihydro-1,4-epimino-9-(1,1-dimethylethyl)naphthalene-2,3-dicarboxylic acid dimethyl ester has 0 hydrogen bond donor(s) and 5 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 5,6,7,8-Tetrachloro-1,4-dihydro-1,4-epimino-9-(1,1-dimethylethyl)naphthalene-2,3-dicarboxylic acid dimethyl ester?
The CAS number of 5,6,7,8-Tetrachloro-1,4-dihydro-1,4-epimino-9-(1,1-dimethylethyl)naphthalene-2,3-dicarboxylic acid dimethyl ester is 60857-31-0.
What is the molecular formula of 5,6,7,8-Tetrachloro-1,4-dihydro-1,4-epimino-9-(1,1-dimethylethyl)naphthalene-2,3-dicarboxylic acid dimethyl ester?
The molecular formula of 5,6,7,8-Tetrachloro-1,4-dihydro-1,4-epimino-9-(1,1-dimethylethyl)naphthalene-2,3-dicarboxylic acid dimethyl ester is C18H17Cl4NO4.
What is the molecular weight of 5,6,7,8-Tetrachloro-1,4-dihydro-1,4-epimino-9-(1,1-dimethylethyl)naphthalene-2,3-dicarboxylic acid dimethyl ester?
The molecular weight of 5,6,7,8-Tetrachloro-1,4-dihydro-1,4-epimino-9-(1,1-dimethylethyl)naphthalene-2,3-dicarboxylic acid dimethyl ester is 450.99 g/mol.
Where can I buy 5,6,7,8-Tetrachloro-1,4-dihydro-1,4-epimino-9-(1,1-dimethylethyl)naphthalene-2,3-dicarboxylic acid dimethyl ester?
You can request a quote for 5,6,7,8-Tetrachloro-1,4-dihydro-1,4-epimino-9-(1,1-dimethylethyl)naphthalene-2,3-dicarboxylic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7,8-Tetrachloro-1,4-dihydro-1,4-epimino-9-(1,1-dimethylethyl)naphthalene-2,3-dicarboxylic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,8-Tetrachloro-1,4-dihydro-1,4-epimino-9-(1,1-dimethylethyl)naphthalene-2,3-dicarboxylic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.