But-2-yne-1,4-diyl bis(2-nitrobenzoate)
TL;DR: But-2-yne-1,4-diyl bis(2-nitrobenzoate) (CAS 136281-70-4) is a chemical compound with molecular formula C18H12N2O8 and molecular weight 384.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-nitrobenzoyl)oxybut-2-ynyl 2-nitrobenzoate
Also Known As: but-2-yne-1,4-diyl bis(2-nitrobenzoate), 4-(2-nitrobenzoyl)oxybut-2-ynyl 2-nitrobenzoate
| Molecular Formula | C18H12N2O8 |
|---|---|
| Molecular Weight | 384.06 g/mol |
| LogP | 2.5202 |
| Topological Polar Surface Area | 138.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.05936 |
| Heavy Atoms | 28 |
| Complexity | 912.8204 |
Chemical Identifiers
| CAS Number | 136281-70-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCC#CCOC(=O)C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
But-2-yne-1,4-diyl bis(2-nitrobenzoate) (CAS 136281-70-4), with molecular formula C18H12N2O8 and molecular weight 384.06 g/mol. IUPAC: 4-(2-nitrobenzoyl)oxybut-2-ynyl 2-nitrobenzoate.
Chemical Property Profile of But-2-yne-1,4-diyl bis(2-nitrobenzoate)
Property Insights of But-2-yne-1,4-diyl bis(2-nitrobenzoate)
The XLogP value of 2.5202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-2-yne-1,4-diyl bis(2-nitrobenzoate). The TPSA of 138.88 Ų falls within the moderate polarity range, balancing permeability and solubility for But-2-yne-1,4-diyl bis(2-nitrobenzoate). Following Lipinski's Rule of Five, But-2-yne-1,4-diyl bis(2-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 But-2-yne-1,4-diyl bis(2-nitrobenzoate)?
The CAS number of But-2-yne-1,4-diyl bis(2-nitrobenzoate) is 136281-70-4.
What is the molecular formula of But-2-yne-1,4-diyl bis(2-nitrobenzoate)?
The molecular formula of But-2-yne-1,4-diyl bis(2-nitrobenzoate) is C18H12N2O8.
What is the molecular weight of But-2-yne-1,4-diyl bis(2-nitrobenzoate)?
The molecular weight of But-2-yne-1,4-diyl bis(2-nitrobenzoate) is 384.06 g/mol.
Where can I buy But-2-yne-1,4-diyl bis(2-nitrobenzoate)?
You can request a quote for But-2-yne-1,4-diyl bis(2-nitrobenzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-yne-1,4-diyl bis(2-nitrobenzoate)?
Yes, KEHONG BIO provides custom synthesis services for But-2-yne-1,4-diyl bis(2-nitrobenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.