TL;DR: 2-Bdb-tcamp (CAS 124357-33-1) is a chemical compound with molecular formula C14H15BrN5O8PS and molecular weight 522.95624 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,4R,5R)-5-[6-amino-2-(4-bromo-4-oxobuta-1,2-dienyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: 2-Bdb-tcamp, 2-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3'5'-cyclic monophosphate, 2-((4-Bromo-2,3-dioxobutyl)thio)adenosine cyclic 3',5'-(hydrogen phosphate), [(2R,3S,4R,5R)-5-[6-amino-2-(4-bromo-4-oxobuta-1,2-dienyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate, 2-[(4-Bromo-4-oxobuta-1,2-dien-1-yl)sulfanyl]adenosine 5'-(dihydrogen phosphate)
| Molecular Formula | C14H15BrN5O8PS |
| Molecular Weight | 522.95624 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 228.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.95624 Da |
| Heavy Atoms | 30 |
| Complexity | 754.0 |
| SMILES | C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)SC=C=CC(=O)Br)N |
| InChIKey | LCXDUKDMKLXADI-DWHWANRFSA-N |
The XLogP value of -2.4 indicates that 2-Bdb-tcamp is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 228.0 Ų indicates high polarity, suggesting 2-Bdb-tcamp may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Bdb-tcamp has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Bdb-tcamp is 124357-33-1.
The molecular formula of 2-Bdb-tcamp is C14H15BrN5O8PS.
The molecular weight of 2-Bdb-tcamp is 522.95624 g/mol.
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