TL;DR: (3Z)-1,7,7-trimethyl-3-(2-phenylhydrazinylidene)bicyclo[2.2.1]heptan-2-one (CAS 100018-42-6) is a chemical compound with molecular formula C16H20N2O and molecular weight 256.15756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-1,7,7-trimethyl-3-(phenylhydrazinylidene)bicyclo[2.2.1]heptan-2-one
Also Known As: (1R,4S)-1,7,7-Trimethyl-3-(phenyl-hydrazono)-bicyclo[2.2.1]heptan-2-one, (3Z)-1,7,7-trimethyl-3-(2-phenylhydrazinylidene)bicyclo[2.2.1]heptan-2-one, Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-[(phenyl-2,4,6-d3-amino)methylene]-, [1R-(1, A,3Z,4, A)]- (9CI)
| Molecular Formula | C16H20N2O |
| Molecular Weight | 256.15756 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.15756 Da |
| Heavy Atoms | 19 |
| Complexity | 420.0 |
| SMILES | CC1(C\2CCC1(C(=O)/C2=N\NC3=CC=CC=C3)C)C |
| InChIKey | CVTKBMLVYAJWMY-AQTBWJFISA-N |
The XLogP value of 3.7 indicates that (3Z)-1,7,7-trimethyl-3-(2-phenylhydrazinylidene)bicyclo[2.2.1]heptan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, (3Z)-1,7,7-trimethyl-3-(2-phenylhydrazinylidene)bicyclo[2.2.1]heptan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3Z)-1,7,7-trimethyl-3-(2-phenylhydrazinylidene)bicyclo[2.2.1]heptan-2-one has 1 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 (3Z)-1,7,7-trimethyl-3-(2-phenylhydrazinylidene)bicyclo[2.2.1]heptan-2-one is 100018-42-6.
The molecular formula of (3Z)-1,7,7-trimethyl-3-(2-phenylhydrazinylidene)bicyclo[2.2.1]heptan-2-one is C16H20N2O.
The molecular weight of (3Z)-1,7,7-trimethyl-3-(2-phenylhydrazinylidene)bicyclo[2.2.1]heptan-2-one is 256.15756 g/mol.
You can request a quote for (3Z)-1,7,7-trimethyl-3-(2-phenylhydrazinylidene)bicyclo[2.2.1]heptan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
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