Benzenesulfonic acid, 2-nitro-, 1,3-propanediyl ester
TL;DR: Benzenesulfonic acid, 2-nitro-, 1,3-propanediyl ester (CAS 64704-14-9) is a chemical compound with molecular formula C15H14N2O10S2 and molecular weight 446.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-nitrophenyl)sulfonyloxypropyl 2-nitrobenzenesulfonate
Also Known As: 1,3-Propanediyl 2-nitrobenzenesulfonate, Benzenesulfonic acid, 2-nitro-, 1,3-propanediyl ester, Propane-1,3-diyl bis(2-nitrobenzene-1-sulfonate), 3-(2-nitrophenyl)sulfonyloxypropyl 2-nitrobenzenesulfonate
| Molecular Formula | C15H14N2O10S2 |
|---|---|
| Molecular Weight | 446.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.00897 |
| Heavy Atoms | 29 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 64704-14-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)OCCCOS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | WZVZDWPKMXXQDX-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 2-nitro-, 1,3-propanediyl ester (CAS 64704-14-9), with molecular formula C15H14N2O10S2 and molecular weight 446.01 g/mol. IUPAC: 3-(2-nitrophenyl)sulfonyloxypropyl 2-nitrobenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 2-nitro-, 1,3-propanediyl ester
Property Insights of Benzenesulfonic acid, 2-nitro-, 1,3-propanediyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 2-nitro-, 1,3-propanediyl ester. The TPSA of 195.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 2-nitro-, 1,3-propanediyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 2-nitro-, 1,3-propanediyl 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 Benzenesulfonic acid, 2-nitro-, 1,3-propanediyl ester?
The CAS number of Benzenesulfonic acid, 2-nitro-, 1,3-propanediyl ester is 64704-14-9.
What is the molecular formula of Benzenesulfonic acid, 2-nitro-, 1,3-propanediyl ester?
The molecular formula of Benzenesulfonic acid, 2-nitro-, 1,3-propanediyl ester is C15H14N2O10S2.
What is the molecular weight of Benzenesulfonic acid, 2-nitro-, 1,3-propanediyl ester?
The molecular weight of Benzenesulfonic acid, 2-nitro-, 1,3-propanediyl ester is 446.01 g/mol.
Where can I buy Benzenesulfonic acid, 2-nitro-, 1,3-propanediyl ester?
You can request a quote for Benzenesulfonic acid, 2-nitro-, 1,3-propanediyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 2-nitro-, 1,3-propanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 2-nitro-, 1,3-propanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.