6-nitro-3-(phenylsulfonyl)-2H-chromen-2-one
TL;DR: 6-nitro-3-(phenylsulfonyl)-2H-chromen-2-one (CAS 866013-12-9) is a chemical compound with molecular formula C15H9NO6S and molecular weight 331.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)-6-nitrochromen-2-one
Also Known As: 6-nitro-3-(phenylsulfonyl)-2H-chromen-2-one, 3-(benzenesulfonyl)-6-nitrochromen-2-one, 3-(benzenesulfonyl)-6-nitro-2H-chromen-2-one, 3-(benzenesulfonyl)-6-nitro-chromen-2-one, F1601-0345
| Molecular Formula | C15H9NO6S |
|---|---|
| Molecular Weight | 331.02 g/mol |
| LogP | 2.534 |
| Topological Polar Surface Area | 107.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.01505 |
| Heavy Atoms | 23 |
| Complexity | 1070.0675 |
Chemical Identifiers
| CAS Number | 866013-12-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O |
Product Overview
6-nitro-3-(phenylsulfonyl)-2H-chromen-2-one (CAS 866013-12-9), with molecular formula C15H9NO6S and molecular weight 331.02 g/mol. IUPAC: 3-(benzenesulfonyl)-6-nitrochromen-2-one.
Chemical Property Profile of 6-nitro-3-(phenylsulfonyl)-2H-chromen-2-one
Property Insights of 6-nitro-3-(phenylsulfonyl)-2H-chromen-2-one
The XLogP value of 2.534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-nitro-3-(phenylsulfonyl)-2H-chromen-2-one. The TPSA of 107.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-nitro-3-(phenylsulfonyl)-2H-chromen-2-one. Following Lipinski's Rule of Five, 6-nitro-3-(phenylsulfonyl)-2H-chromen-2-one has 0 hydrogen bond donor(s) and 6 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 6-nitro-3-(phenylsulfonyl)-2H-chromen-2-one?
The CAS number of 6-nitro-3-(phenylsulfonyl)-2H-chromen-2-one is 866013-12-9.
What is the molecular formula of 6-nitro-3-(phenylsulfonyl)-2H-chromen-2-one?
The molecular formula of 6-nitro-3-(phenylsulfonyl)-2H-chromen-2-one is C15H9NO6S.
What is the molecular weight of 6-nitro-3-(phenylsulfonyl)-2H-chromen-2-one?
The molecular weight of 6-nitro-3-(phenylsulfonyl)-2H-chromen-2-one is 331.02 g/mol.
Where can I buy 6-nitro-3-(phenylsulfonyl)-2H-chromen-2-one?
You can request a quote for 6-nitro-3-(phenylsulfonyl)-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-nitro-3-(phenylsulfonyl)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-nitro-3-(phenylsulfonyl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.