Benzenesulfonic acid 4-nitro-phenyl ester
TL;DR: Benzenesulfonic acid 4-nitro-phenyl ester (CAS 3313-84-6) is a chemical compound with molecular formula C12H9NO5S and molecular weight 279.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) benzenesulfonate
Also Known As: p-nitrophenyl benzenesulfonate, 4-Nitrophenyl benzenesulfonate, (4-nitrophenyl) benzenesulfonate, (4-Nitrophenoxysulfonyl)benzene, Benzenesulfonic acid 4-nitro-phenyl ester
| Molecular Formula | C12H9NO5S |
|---|---|
| Molecular Weight | 279.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.02014 |
| Heavy Atoms | 19 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 3313-84-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | KAHNIMUVMKNJPX-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid 4-nitro-phenyl ester (CAS 3313-84-6), with molecular formula C12H9NO5S and molecular weight 279.02 g/mol. IUPAC: (4-nitrophenyl) benzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid 4-nitro-phenyl ester
Property Insights of Benzenesulfonic acid 4-nitro-phenyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid 4-nitro-phenyl ester. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid 4-nitro-phenyl ester. Following Lipinski's Rule of Five, Benzenesulfonic acid 4-nitro-phenyl ester has 0 hydrogen bond donor(s) and 5 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 4-nitro-phenyl ester?
The CAS number of Benzenesulfonic acid 4-nitro-phenyl ester is 3313-84-6.
What is the molecular formula of Benzenesulfonic acid 4-nitro-phenyl ester?
The molecular formula of Benzenesulfonic acid 4-nitro-phenyl ester is C12H9NO5S.
What is the molecular weight of Benzenesulfonic acid 4-nitro-phenyl ester?
The molecular weight of Benzenesulfonic acid 4-nitro-phenyl ester is 279.02 g/mol.
Where can I buy Benzenesulfonic acid 4-nitro-phenyl ester?
You can request a quote for Benzenesulfonic acid 4-nitro-phenyl 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 4-nitro-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid 4-nitro-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.