TL;DR: (+/-)-Hymenin (CAS 154569-13-8) is a chemical compound with molecular formula C11H11Br2N5O and molecular weight 386.93304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-amino-1H-imidazol-5-yl)-2,3-dibromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one
Also Known As: (+/-)-Hymenin, Hymenine, Hymenin, Hymenialdisine,11b, (+/-)-Hymenine
| Molecular Formula | C11H11Br2N5O |
| Molecular Weight | 386.93304 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 99.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 386.93304 Da |
| Heavy Atoms | 19 |
| Complexity | 371.0 |
| SMILES | C1CNC(=O)C2=C(C1C3=CN=C(N3)N)C(=C(N2)Br)Br |
| InChIKey | MRMGABUTBNWSLA-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+/-)-Hymenin. The TPSA of 99.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (+/-)-Hymenin. Following Lipinski's Rule of Five, (+/-)-Hymenin has 4 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (+/-)-Hymenin is 154569-13-8.
The molecular formula of (+/-)-Hymenin is C11H11Br2N5O.
The molecular weight of (+/-)-Hymenin is 386.93304 g/mol.
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