Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester
TL;DR: Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester (CAS 64704-15-0) is a chemical compound with molecular formula C16H16N2O10S2 and molecular weight 460.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-nitrophenyl)sulfonyloxybutyl 2-nitrobenzenesulfonate
Also Known As: 1,4-Butanediyl 2-nitrobenzeneaulfonate, Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester, Benzeneaulfonicacid,2-nitro-,1,4-butanediylester, Butane-1,4-diyl bis(2-nitrobenzene-1-sulfonate), 4-(2-nitrophenyl)sulfonyloxybutyl 2-nitrobenzenesulfonate
| Molecular Formula | C16H16N2O10S2 |
|---|---|
| Molecular Weight | 460.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 460.02463 |
| Heavy Atoms | 30 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 64704-15-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)OCCCCOS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | RYSYMYKHYDFYNP-UHFFFAOYSA-N |
Product Overview
Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester (CAS 64704-15-0), with molecular formula C16H16N2O10S2 and molecular weight 460.02 g/mol. IUPAC: 4-(2-nitrophenyl)sulfonyloxybutyl 2-nitrobenzenesulfonate.
Chemical Property Profile of Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester
Property Insights of Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester. The TPSA of 195.0 Ų indicates high polarity, suggesting Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester 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 Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester?
The CAS number of Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester is 64704-15-0.
What is the molecular formula of Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester?
The molecular formula of Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester is C16H16N2O10S2.
What is the molecular weight of Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester?
The molecular weight of Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester is 460.02 g/mol.
Where can I buy Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester?
You can request a quote for Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneaulfonic acid, 2-nitro-, 1,4-butanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.