Cas no 52601-78-2 (7,16-bis[(4-methylphenyl)sulfonyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane)
![7,16-bis[(4-methylphenyl)sulfonyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane structure](https://ossimg.kuujia.com/scimg/53000/52601-78-2x500.png)
52601-78-2 structure
Product Name:7,16-bis[(4-methylphenyl)sulfonyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CAS No:52601-78-2
MF:C26H38N2O8S2
MW:570.718525409698
CID:937162
PubChem ID:2829024
Update Time:2025-04-19
7,16-bis[(4-methylphenyl)sulfonyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane Chemical and Physical Properties
Names and Identifiers
-
- 7,16-bis[(4-methylphenyl)sulfonyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
- 7,16-bis-(4-methylphenyl)sulfonyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
- AF-962/32159049
- CBDivE_001502
- 7,16-Bis-(toluene-4-sulfonyl)-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane
- 7,16-BIS(4-METHYLBENZENESULFONYL)-1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE
- SR-01000390264
- DB-242901
- DTXSID20385225
- SCHEMBL11122313
- SR-01000390264-1
- AKOS000519546
- 52601-78-2
-
- Inchi： 1S/C26H38N2O8S2/c1-23-3-7-25(8-4-23)37(29,30)27-11-15-33-19-21-35-17-13-28(14-18-36-22-20-34-16-12-27)38(31,32)26-9-5-24(2)6-10-26/h3-10H,11-22H2,1-2H3
- InChI Key： STPBMUYYGGLOOD-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(N1CCOCCOCCN(CCOCCOCC1)S(C1C=CC(C)=CC=1)(=O)=O)(=O)=O
Computed Properties
- Exact Mass: 570.20714
- Monoisotopic Mass: 570.20695852g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 38
- Rotatable Bond Count: 4
- Complexity: 767
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 128?2
Experimental Properties
- PSA: 111.68
7,16-bis[(4-methylphenyl)sulfonyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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