Anacrotine
TL;DR: Anacrotine (CAS 5096-49-1) is a chemical compound with molecular formula C18H25NO6 and molecular weight 351.16818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,6R,7R,16R,17R)-4-ethylidene-7,16-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Also Known As: Anacrotine
Technical Specifications
| Molecular Formula | C18H25NO6 |
| Molecular Weight | 351.16818 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 351.16818 Da |
| Heavy Atoms | 25 |
| Complexity | 641.0 |
| SMILES | CC=C1C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H]([C@@H](C3)O)OC1=O)(C)O)C |
| InChIKey | NPYPUYCITBTPSF-GLXAKMLGSA-N |
Chemical Property Profile of Anacrotine
Property Insights of Anacrotine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anacrotine. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Anacrotine. Following Lipinski's Rule of Five, Anacrotine has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Anacrotine?
The CAS number of Anacrotine is 5096-49-1.
What is the molecular formula of Anacrotine?
The molecular formula of Anacrotine is C18H25NO6.
What is the molecular weight of Anacrotine?
The molecular weight of Anacrotine is 351.16818 g/mol.
Where can I buy Anacrotine?
You can request a quote for Anacrotine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Anacrotine?
Yes, CoreyChem provides custom synthesis services for Anacrotine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.