1H-Pyrrole, 2,5-dihydro-1-(4-nitrophenyl)-3-(phenylsulfonyl)-
TL;DR: 1H-Pyrrole, 2,5-dihydro-1-(4-nitrophenyl)-3-(phenylsulfonyl)- (CAS 400082-95-3) is a chemical compound with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)-1-(4-nitrophenyl)-2,5-dihydropyrrole
Also Known As: 1H-Pyrrole, 2,5-dihydro-1-(4-nitrophenyl)-3-(phenylsulfonyl)-, 3-(benzenesulfonyl)-1-(4-nitrophenyl)-2,5-dihydropyrrole, 1H-Pyrrole,2,5-dihydro-1-(4-nitrophenyl)-3-(phenylsulfonyl), 3-(Benzenesulfonyl)-1-(4-nitrophenyl)-2,5-dihydro-1H-pyrrole, RefChem:240346
| Molecular Formula | C16H14N2O4S |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 2.7726 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.0674 |
| Heavy Atoms | 23 |
| Complexity | 858.7131 |
Chemical Identifiers
| CAS Number | 400082-95-3 |
|---|---|
| SMILES | C1C=C(CN1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 |
Product Overview
1H-Pyrrole, 2,5-dihydro-1-(4-nitrophenyl)-3-(phenylsulfonyl)- (CAS 400082-95-3), with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol. IUPAC: 3-(benzenesulfonyl)-1-(4-nitrophenyl)-2,5-dihydropyrrole.
Chemical Property Profile of 1H-Pyrrole, 2,5-dihydro-1-(4-nitrophenyl)-3-(phenylsulfonyl)-
Property Insights of 1H-Pyrrole, 2,5-dihydro-1-(4-nitrophenyl)-3-(phenylsulfonyl)-
The XLogP value of 2.7726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole, 2,5-dihydro-1-(4-nitrophenyl)-3-(phenylsulfonyl)-. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole, 2,5-dihydro-1-(4-nitrophenyl)-3-(phenylsulfonyl)-. Following Lipinski's Rule of Five, 1H-Pyrrole, 2,5-dihydro-1-(4-nitrophenyl)-3-(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 1H-Pyrrole, 2,5-dihydro-1-(4-nitrophenyl)-3-(phenylsulfonyl)-?
The CAS number of 1H-Pyrrole, 2,5-dihydro-1-(4-nitrophenyl)-3-(phenylsulfonyl)- is 400082-95-3.
What is the molecular formula of 1H-Pyrrole, 2,5-dihydro-1-(4-nitrophenyl)-3-(phenylsulfonyl)-?
The molecular formula of 1H-Pyrrole, 2,5-dihydro-1-(4-nitrophenyl)-3-(phenylsulfonyl)- is C16H14N2O4S.
What is the molecular weight of 1H-Pyrrole, 2,5-dihydro-1-(4-nitrophenyl)-3-(phenylsulfonyl)-?
The molecular weight of 1H-Pyrrole, 2,5-dihydro-1-(4-nitrophenyl)-3-(phenylsulfonyl)- is 330.07 g/mol.
Where can I buy 1H-Pyrrole, 2,5-dihydro-1-(4-nitrophenyl)-3-(phenylsulfonyl)-?
You can request a quote for 1H-Pyrrole, 2,5-dihydro-1-(4-nitrophenyl)-3-(phenylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole, 2,5-dihydro-1-(4-nitrophenyl)-3-(phenylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole, 2,5-dihydro-1-(4-nitrophenyl)-3-(phenylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.