2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane
TL;DR: 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane (CAS 89303-15-1) is a chemical compound with molecular formula C16H15NO6S and molecular weight 349.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(benzenesulfonylmethyl)-4-nitrophenyl]-1,3-dioxolane
Also Known As: 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane, 2-{4-nitro-3-[(phenylsulfonyl)methyl]phenyl}-1,3-dioxolane, 1,3-Dioxolane, 2-[4-nitro-3-[(phenylsulfonyl)methyl]phenyl]-, 2-[3-(benzenesulfonylmethyl)-4-nitrophenyl]-1,3-dioxolane, 2-{3-[(benzenesulfonyl)methyl]-4-nitrophenyl}-1,3-dioxolane
| Molecular Formula | C16H15NO6S |
|---|---|
| Molecular Weight | 349.06 g/mol |
| LogP | 2.6141 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.062 |
| Heavy Atoms | 24 |
| Complexity | 844.1263 |
Chemical Identifiers
| CAS Number | 89303-15-1 |
|---|---|
| SMILES | C1COC(O1)C2=CC(=C(C=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3 |
Product Overview
2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane (CAS 89303-15-1), with molecular formula C16H15NO6S and molecular weight 349.06 g/mol. IUPAC: 2-[3-(benzenesulfonylmethyl)-4-nitrophenyl]-1,3-dioxolane.
Chemical Property Profile of 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane
Property Insights of 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane
The XLogP value of 2.6141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane. Following Lipinski's Rule of Five, 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane 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 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane?
The CAS number of 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane is 89303-15-1.
What is the molecular formula of 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane?
The molecular formula of 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane is C16H15NO6S.
What is the molecular weight of 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane?
The molecular weight of 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane is 349.06 g/mol.
Where can I buy 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane?
You can request a quote for 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.