ChemDiv1_024249
TL;DR: ChemDiv1_024249 (CAS 121215-83-6) is a chemical compound with molecular formula C28H25N3O4S2 and molecular weight 531.12866 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8,16-bis-(4-methylphenyl)sulfonyl-8,16,17-triazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
Also Known As: F0913-2676, 5,11-ditosyl-5,6,11,12-tetrahydro-6,12-epiminodibenzo[b,f][1,5]diazocine, 8,16-bis(4-methylbenzenesulfonyl)-8,16,17-triazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadeca-2,4,6,10(15),11,13-hexaene, 8,16-bis-(4-methylphenyl)sulfonyl-8,16,17-triazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
Technical Specifications
| Molecular Formula | C28H25N3O4S2 |
| Molecular Weight | 531.12866 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 531.12866 Da |
| Heavy Atoms | 37 |
| Complexity | 941.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C3C4=CC=CC=C4N(C(N3)C5=CC=CC=C52)S(=O)(=O)C6=CC=C(C=C6)C |
| InChIKey | NUWQXTCCBLWVPO-UHFFFAOYSA-N |
Chemical Property Profile of ChemDiv1_024249
Property Insights of ChemDiv1_024249
The XLogP value of 4.7 indicates that ChemDiv1_024249 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024249. Following Lipinski's Rule of Five, ChemDiv1_024249 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ChemDiv1_024249?
The CAS number of ChemDiv1_024249 is 121215-83-6.
What is the molecular formula of ChemDiv1_024249?
The molecular formula of ChemDiv1_024249 is C28H25N3O4S2.
What is the molecular weight of ChemDiv1_024249?
The molecular weight of ChemDiv1_024249 is 531.12866 g/mol.
Where can I buy ChemDiv1_024249?
You can request a quote for ChemDiv1_024249 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ChemDiv1_024249?
Yes, CoreyChem provides custom synthesis services for ChemDiv1_024249 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.