But-2-yne-1,4-diyl bis(4-nitrobenzenesulfonate)
TL;DR: But-2-yne-1,4-diyl bis(4-nitrobenzenesulfonate) (CAS 6533-23-9) is a chemical compound with molecular formula C16H12N2O10S2 and molecular weight 455.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-nitrophenyl)sulfonyloxybut-2-ynyl 4-nitrobenzenesulfonate
Also Known As: but-2-yne-1,4-diyl bis(4-nitrobenzenesulfonate), But-2-yne-1,4-diyl bis(4-nitrobenzene-1-sulfonate), 4-(4-nitrophenyl)sulfonyloxybut-2-ynyl 4-nitrobenzenesulfonate, 4-(4-nitrophenyl)sulfonyloxybut-2-ynyl 4-nitrobenzenesulfona, 3-benzoyl-1-(2-methoxy-ethyl)-4-phenyl-1,3-dihydro-imidazol-2-one
| Molecular Formula | C16H12N2O10S2 |
|---|---|
| Molecular Weight | 455.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.99335 |
| Heavy Atoms | 30 |
| Complexity | 808.0 |
Chemical Identifiers
| CAS Number | 6533-23-9 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OCC#CCOS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | BTLIPMLYTAHJPF-UHFFFAOYSA-N |
Product Overview
But-2-yne-1,4-diyl bis(4-nitrobenzenesulfonate) (CAS 6533-23-9), with molecular formula C16H12N2O10S2 and molecular weight 455.99 g/mol. IUPAC: 4-(4-nitrophenyl)sulfonyloxybut-2-ynyl 4-nitrobenzenesulfonate.
Chemical Property Profile of But-2-yne-1,4-diyl bis(4-nitrobenzenesulfonate)
Property Insights of But-2-yne-1,4-diyl bis(4-nitrobenzenesulfonate)
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-2-yne-1,4-diyl bis(4-nitrobenzenesulfonate). The TPSA of 195.0 Ų indicates high polarity, suggesting But-2-yne-1,4-diyl bis(4-nitrobenzenesulfonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, But-2-yne-1,4-diyl bis(4-nitrobenzenesulfonate) has 0 hydrogen bond donor(s) and 10 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(4-nitrobenzenesulfonate)?
The CAS number of But-2-yne-1,4-diyl bis(4-nitrobenzenesulfonate) is 6533-23-9.
What is the molecular formula of But-2-yne-1,4-diyl bis(4-nitrobenzenesulfonate)?
The molecular formula of But-2-yne-1,4-diyl bis(4-nitrobenzenesulfonate) is C16H12N2O10S2.
What is the molecular weight of But-2-yne-1,4-diyl bis(4-nitrobenzenesulfonate)?
The molecular weight of But-2-yne-1,4-diyl bis(4-nitrobenzenesulfonate) is 455.99 g/mol.
Where can I buy But-2-yne-1,4-diyl bis(4-nitrobenzenesulfonate)?
You can request a quote for But-2-yne-1,4-diyl bis(4-nitrobenzenesulfonate) 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(4-nitrobenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for But-2-yne-1,4-diyl bis(4-nitrobenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.