Methyl 3,4-dichloro-5-nitro-2-furoate
TL;DR: Methyl 3,4-dichloro-5-nitro-2-furoate (CAS 122587-22-8) is a chemical compound with molecular formula C6H3Cl2NO5 and molecular weight 238.93883 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3,4-dichloro-5-nitrofuran-2-carboxylate
Also Known As: Methyl 3,4-dichloro-5-nitro-2-furoate, methyl 3,4-dichloro-5-nitrofuran-2-carboxylate, C6-H3.Cl2-N-O5, Methyl-3,4-dichloro-5-nitro-2-furoate, Methyl 3,4-dichloro-5-nitro-2-furancarboxylate
Technical Specifications
| Molecular Formula | C6H3Cl2NO5 |
| Molecular Weight | 238.93883 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.93883 Da |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
| SMILES | COC(=O)C1=C(C(=C(O1)[N+](=O)[O-])Cl)Cl |
| InChIKey | AUKVSIJCWIMUMD-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3,4-dichloro-5-nitro-2-furoate
Property Insights of Methyl 3,4-dichloro-5-nitro-2-furoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,4-dichloro-5-nitro-2-furoate. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,4-dichloro-5-nitro-2-furoate. Following Lipinski's Rule of Five, Methyl 3,4-dichloro-5-nitro-2-furoate 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
What is the CAS number of Methyl 3,4-dichloro-5-nitro-2-furoate?
The CAS number of Methyl 3,4-dichloro-5-nitro-2-furoate is 122587-22-8.
What is the molecular formula of Methyl 3,4-dichloro-5-nitro-2-furoate?
The molecular formula of Methyl 3,4-dichloro-5-nitro-2-furoate is C6H3Cl2NO5.
What is the molecular weight of Methyl 3,4-dichloro-5-nitro-2-furoate?
The molecular weight of Methyl 3,4-dichloro-5-nitro-2-furoate is 238.93883 g/mol.
Where can I buy Methyl 3,4-dichloro-5-nitro-2-furoate?
You can request a quote for Methyl 3,4-dichloro-5-nitro-2-furoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3,4-dichloro-5-nitro-2-furoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3,4-dichloro-5-nitro-2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.