TL;DR: EINECS 244-306-4 (CAS 21269-13-6) is a chemical compound with molecular formula C25H33NO5 and molecular weight 427.23587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-oxo-2-(6,9,13-trimethyl-16-oxo-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,17-dien-8-yl)ethyl] acetate
Also Known As: 2-oxo-2-(4a,6a,8-trimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bh-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl)ethyl acetate
| Molecular Formula | C25H33NO5 |
| Molecular Weight | 427.23587 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 82.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.23587 Da |
| Heavy Atoms | 31 |
| Complexity | 921.0 |
| SMILES | CC1=NC2(C(O1)CC3C2(CCC4C3CCC5=CC(=O)CCC45C)C)C(=O)COC(=O)C |
| InChIKey | VVMRUTPNARVFIR-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 244-306-4. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 244-306-4. Following Lipinski's Rule of Five, EINECS 244-306-4 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of EINECS 244-306-4 is 21269-13-6.
The molecular formula of EINECS 244-306-4 is C25H33NO5.
The molecular weight of EINECS 244-306-4 is 427.23587 g/mol.
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