3-(4-Tert-butylphenyl)sulfonyl-6-nitrochromen-2-one
TL;DR: 3-(4-Tert-butylphenyl)sulfonyl-6-nitrochromen-2-one (CAS 865656-34-4) is a chemical compound with molecular formula C19H17NO6S and molecular weight 387.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)sulfonyl-6-nitrochromen-2-one
Also Known As: 3-(4-tert-butylphenyl)sulfonyl-6-nitrochromen-2-one, 3-(4-tert-butylbenzenesulfonyl)-6-nitro-2H-chromen-2-one, 3-[(4-tert-butylphenyl)sulfonyl]-6-nitro-2H-chromen-2-one, 6-nitro-3-(4-tert-butylphenyl)sulfonyl-chromen-2-one, F1601-0186
| Molecular Formula | C19H17NO6S |
|---|---|
| Molecular Weight | 387.08 g/mol |
| LogP | 3.8315 |
| Topological Polar Surface Area | 107.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.07767 |
| Heavy Atoms | 27 |
| Complexity | 1201.6638 |
Chemical Identifiers
| CAS Number | 865656-34-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O |
Product Overview
3-(4-Tert-butylphenyl)sulfonyl-6-nitrochromen-2-one (CAS 865656-34-4), with molecular formula C19H17NO6S and molecular weight 387.08 g/mol. IUPAC: 3-(4-tert-butylphenyl)sulfonyl-6-nitrochromen-2-one.
Chemical Property Profile of 3-(4-Tert-butylphenyl)sulfonyl-6-nitrochromen-2-one
Property Insights of 3-(4-Tert-butylphenyl)sulfonyl-6-nitrochromen-2-one
The XLogP value of 3.8315 indicates that 3-(4-Tert-butylphenyl)sulfonyl-6-nitrochromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Tert-butylphenyl)sulfonyl-6-nitrochromen-2-one. Following Lipinski's Rule of Five, 3-(4-Tert-butylphenyl)sulfonyl-6-nitrochromen-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 3-(4-Tert-butylphenyl)sulfonyl-6-nitrochromen-2-one?
The CAS number of 3-(4-Tert-butylphenyl)sulfonyl-6-nitrochromen-2-one is 865656-34-4.
What is the molecular formula of 3-(4-Tert-butylphenyl)sulfonyl-6-nitrochromen-2-one?
The molecular formula of 3-(4-Tert-butylphenyl)sulfonyl-6-nitrochromen-2-one is C19H17NO6S.
What is the molecular weight of 3-(4-Tert-butylphenyl)sulfonyl-6-nitrochromen-2-one?
The molecular weight of 3-(4-Tert-butylphenyl)sulfonyl-6-nitrochromen-2-one is 387.08 g/mol.
Where can I buy 3-(4-Tert-butylphenyl)sulfonyl-6-nitrochromen-2-one?
You can request a quote for 3-(4-Tert-butylphenyl)sulfonyl-6-nitrochromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Tert-butylphenyl)sulfonyl-6-nitrochromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Tert-butylphenyl)sulfonyl-6-nitrochromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.