Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)-
TL;DR: Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)- (CAS 76128-03-5) is a chemical compound with molecular formula C18H13NO5S and molecular weight 355.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(benzenesulfonyl)phenoxy]-4-nitrobenzene
Also Known As: Benzene, 1-(4-nitrophenoxy)-4-phenylsulfonyl-, Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)-, 1-(benzenesulfonyl)-4-(4-nitrophenoxy)benzene, 1-[4-(benzenesulfonyl)phenoxy]-4-nitrobenzene, 1-(4-Nitrophenoxy)-4-(phenylsulfonyl)benzene
| Molecular Formula | C18H13NO5S |
|---|---|
| Molecular Weight | 355.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.05145 |
| Heavy Atoms | 25 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 76128-03-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | ZFFOATJMEQWVRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)- (CAS 76128-03-5), with molecular formula C18H13NO5S and molecular weight 355.05 g/mol. IUPAC: 1-[4-(benzenesulfonyl)phenoxy]-4-nitrobenzene.
Chemical Property Profile of Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)-
Property Insights of Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)-
The XLogP value of 4.6 indicates that Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)-. Following Lipinski's Rule of Five, Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)- 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 Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)-?
The CAS number of Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)- is 76128-03-5.
What is the molecular formula of Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)-?
The molecular formula of Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)- is C18H13NO5S.
What is the molecular weight of Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)-?
The molecular weight of Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)- is 355.05 g/mol.
Where can I buy Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)-?
You can request a quote for Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.