BAS 00454696
TL;DR: BAS 00454696 (CAS 1212478-87-9) is a chemical compound with molecular formula C17H17N3O and molecular weight 279.13718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(12S)-5-methyl-8-oxo-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-13-yl]acetonitrile
Also Known As: BAS 00454696, (S)-2-(8-methyl-6-oxo-4,5-dihydro-1H-3,10b-diazaacephenanthrylen-3(2H,3aH,6H)-yl)acetonitrile, [(3aS)-8-methyl-6-oxo-1,2,3a,4,5,6-hexahydro-3H-3,10b-diazaacephenanthrylen-3-yl]acetonitrile
Technical Specifications
| Molecular Formula | C17H17N3O |
| Molecular Weight | 279.13718 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.13718 Da |
| Heavy Atoms | 21 |
| Complexity | 558.0 |
| SMILES | CC1=CC2=C(C=C1)N3CCN([C@@H]4C3=C(C2=O)CC4)CC#N |
| InChIKey | OKSRFBBVDPIMHK-HNNXBMFYSA-N |
Chemical Property Profile of BAS 00454696
Property Insights of BAS 00454696
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00454696. With a topological polar surface area (TPSA) of 47.3 Ų, BAS 00454696 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00454696 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BAS 00454696?
The CAS number of BAS 00454696 is 1212478-87-9.
What is the molecular formula of BAS 00454696?
The molecular formula of BAS 00454696 is C17H17N3O.
What is the molecular weight of BAS 00454696?
The molecular weight of BAS 00454696 is 279.13718 g/mol.
Where can I buy BAS 00454696?
You can request a quote for BAS 00454696 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00454696?
Yes, CoreyChem provides custom synthesis services for BAS 00454696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.