TL;DR: 15-bromo-2 (CAS 163272-27-3) is a chemical compound with molecular formula C14H19BrO3S2 and molecular weight 377.9959 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
17-bromo-2,8,14-trioxa-5,11-dithiabicyclo[13.4.0]nonadeca-1(15),16,18-triene
Also Known As: 15-bromo-2, 15-bromo-2,3,5,6,8,9,11,12-octahydro-1,7,13,4,10-benzotrioxadithiacyclopentadecine, F0909-0013, 17-bromo-2,8,14-trioxa-5,11-dithiabicyclo[13.4.0]nonadeca-1(15),16,18-triene, 15-bromo-2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,10,7,13]trioxadithiacyclopentadecine
| Molecular Formula | C14H19BrO3S2 |
| Molecular Weight | 377.9959 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 78.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 377.9959 Da |
| Heavy Atoms | 20 |
| Complexity | 259.0 |
| SMILES | C1CSCCOC2=C(C=C(C=C2)Br)OCCSCCO1 |
| InChIKey | RCRJUCDJHNPGKH-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 15-bromo-2. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 15-bromo-2. Following Lipinski's Rule of Five, 15-bromo-2 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 15-bromo-2 is 163272-27-3.
The molecular formula of 15-bromo-2 is C14H19BrO3S2.
The molecular weight of 15-bromo-2 is 377.9959 g/mol.
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