![2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol structure](/static/products/7066/7066-53-7.webp)
2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol
TL;DR: 2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol (CAS 7066-53-7) is a chemical compound with molecular formula C14H13NO5S and molecular weight 307.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylphenyl)sulfonylmethyl]-4-nitrophenol
Also Known As: 2-[(4-methylphenyl)sulfonylmethyl]-4-nitrophenol, 2-{[(4-methylphenyl)sulfonyl]methyl}-4-nitrophenol, 2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol, 2-[(4-methylphenyl)sulfonylmethyl]-4-nitro-phenol
| Molecular Formula | C14H13NO5S |
|---|---|
| Molecular Weight | 307.05 g/mol |
| LogP | 2.58272 |
| Topological Polar Surface Area | 97.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.05145 |
| Heavy Atoms | 21 |
| Complexity | 781.5117 |
Chemical Identifiers
| CAS Number | 7066-53-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)[N+](=O)[O-])O |
Product Overview
2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol (CAS 7066-53-7), with molecular formula C14H13NO5S and molecular weight 307.05 g/mol. IUPAC: 2-[(4-methylphenyl)sulfonylmethyl]-4-nitrophenol.
Chemical Property Profile of 2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol
Property Insights of 2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol
The XLogP value of 2.58272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol. The TPSA of 97.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol. Following Lipinski's Rule of Five, 2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol has 1 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 2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol?
The CAS number of 2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol is 7066-53-7.
What is the molecular formula of 2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol?
The molecular formula of 2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol is C14H13NO5S.
What is the molecular weight of 2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol?
The molecular weight of 2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol is 307.05 g/mol.
Where can I buy 2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol?
You can request a quote for 2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methylbenzene-1-sulfonyl)methyl]-4-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.