1-(Nitromethylsulfonyl)-4-phenylbenzene
TL;DR: 1-(Nitromethylsulfonyl)-4-phenylbenzene (CAS 653588-42-2) is a chemical compound with molecular formula C13H11NO4S and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(nitromethylsulfonyl)-4-phenylbenzene
Also Known As: 1-(nitromethylsulfonyl)-4-phenylbenzene, 4-Nitromethanesulfonyl-biphenyl, 4-(Nitromethanesulfonyl)-1,1'-biphenyl, 1,1'-Biphenyl, 4-[(nitromethyl)sulfonyl]-, 1-(nitromethylsulfonyl)-4-phenyl-benzene
| Molecular Formula | C13H11NO4S |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0409 |
| Heavy Atoms | 19 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 653588-42-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C[N+](=O)[O-] |
| InChIKey | MHRLCMUCLWDTAZ-UHFFFAOYSA-N |
Product Overview
1-(Nitromethylsulfonyl)-4-phenylbenzene (CAS 653588-42-2), with molecular formula C13H11NO4S and molecular weight 277.04 g/mol. IUPAC: 1-(nitromethylsulfonyl)-4-phenylbenzene.
Chemical Property Profile of 1-(Nitromethylsulfonyl)-4-phenylbenzene
Property Insights of 1-(Nitromethylsulfonyl)-4-phenylbenzene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Nitromethylsulfonyl)-4-phenylbenzene. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Nitromethylsulfonyl)-4-phenylbenzene. Following Lipinski's Rule of Five, 1-(Nitromethylsulfonyl)-4-phenylbenzene has 0 hydrogen bond donor(s) and 4 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 1-(Nitromethylsulfonyl)-4-phenylbenzene?
The CAS number of 1-(Nitromethylsulfonyl)-4-phenylbenzene is 653588-42-2.
What is the molecular formula of 1-(Nitromethylsulfonyl)-4-phenylbenzene?
The molecular formula of 1-(Nitromethylsulfonyl)-4-phenylbenzene is C13H11NO4S.
What is the molecular weight of 1-(Nitromethylsulfonyl)-4-phenylbenzene?
The molecular weight of 1-(Nitromethylsulfonyl)-4-phenylbenzene is 277.04 g/mol.
Where can I buy 1-(Nitromethylsulfonyl)-4-phenylbenzene?
You can request a quote for 1-(Nitromethylsulfonyl)-4-phenylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Nitromethylsulfonyl)-4-phenylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Nitromethylsulfonyl)-4-phenylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.