Hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate)
TL;DR: Hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate) (CAS 107817-50-5) is a chemical compound with molecular formula C20H12N2O8 and molecular weight 408.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-nitrobenzoyl)oxyhexa-2,4-diynyl 4-nitrobenzoate
Also Known As: hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate), 6-(4-nitrobenzoyl)oxyhexa-2,4-diynyl 4-nitrobenzoate
| Molecular Formula | C20H12N2O8 |
|---|---|
| Molecular Weight | 408.06 g/mol |
| LogP | 2.5236 |
| Topological Polar Surface Area | 138.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.05936 |
| Heavy Atoms | 30 |
| Complexity | 994.602 |
Chemical Identifiers
| CAS Number | 107817-50-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC#CC#CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate) (CAS 107817-50-5), with molecular formula C20H12N2O8 and molecular weight 408.06 g/mol. IUPAC: 6-(4-nitrobenzoyl)oxyhexa-2,4-diynyl 4-nitrobenzoate.
Chemical Property Profile of Hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate)
Property Insights of Hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate)
The XLogP value of 2.5236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate). The TPSA of 138.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate). Following Lipinski's Rule of Five, Hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate) has 0 hydrogen bond donor(s) and 8 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 Hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate)?
The CAS number of Hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate) is 107817-50-5.
What is the molecular formula of Hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate)?
The molecular formula of Hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate) is C20H12N2O8.
What is the molecular weight of Hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate)?
The molecular weight of Hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate) is 408.06 g/mol.
Where can I buy Hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate)?
You can request a quote for Hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate)?
Yes, KEHONG BIO provides custom synthesis services for Hexa-2,4-diyne-1,6-diyl bis(4-nitrobenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.