![1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene structure](/static/products/6836/68360-59-8.webp)
1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene
TL;DR: 1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene (CAS 68360-59-8) is a chemical compound with molecular formula C13H10ClNO5S and molecular weight 327.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)sulfonylmethoxy]-4-nitrobenzene
Also Known As: 1-chloro-4-[ methylsulfonyl]benzene, 1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene, 1-[(4-chlorophenyl)sulfonylmethoxy]-4-nitrobenzene, Benzene,1-chloro-4-[[(4-nitrophenoxy)methyl]sulfonyl]-, 1-CHLORO-4-[(4-NITROPHENOXY)METHYLSULFONYL]BENZENE
| Molecular Formula | C13H10ClNO5S |
|---|---|
| Molecular Weight | 327.00 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.99683 |
| Heavy Atoms | 21 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 68360-59-8 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OCS(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | HLMUNTISFOMKSW-UHFFFAOYSA-N |
Product Overview
1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene (CAS 68360-59-8), with molecular formula C13H10ClNO5S and molecular weight 327.00 g/mol. IUPAC: 1-[(4-chlorophenyl)sulfonylmethoxy]-4-nitrobenzene.
Chemical Property Profile of 1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene
Property Insights of 1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene
The XLogP value of 3.4 indicates that 1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene. Following Lipinski's Rule of Five, 1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene has 0 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 1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene?
The CAS number of 1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene is 68360-59-8.
What is the molecular formula of 1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene?
The molecular formula of 1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene is C13H10ClNO5S.
What is the molecular weight of 1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene?
The molecular weight of 1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene is 327.00 g/mol.
Where can I buy 1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene?
You can request a quote for 1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-[(4-nitrophenoxy)methanesulfonyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.