Cetocycline
TL;DR: Cetocycline (CAS 29144-42-1) is a chemical compound with molecular formula C22H21NO7 and molecular weight 411.1318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,4aR,12aS)-3-acetyl-1-amino-4,4a,6,7-tetrahydroxy-8,11-dimethyl-12,12a-dihydro-1H-tetracene-2,5-dione
Also Known As: Cetocycline, Chelocardin, Cetotetrine, Cetocyline, Tri-chelocardin
Technical Specifications
| Molecular Formula | C22H21NO7 |
| Molecular Weight | 411.1318 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 411.1318 Da |
| Heavy Atoms | 30 |
| Complexity | 837.0 |
| SMILES | CC1=C(C2=C(C3=C(C[C@H]4[C@H](C(=O)C(=C([C@]4(C3=O)O)O)C(=O)C)N)C(=C2C=C1)C)O)O |
| InChIKey | LUYXWZOOMKBUMB-ONJZCGHCSA-N |
Chemical Property Profile of Cetocycline
Property Insights of Cetocycline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cetocycline. The TPSA of 158.0 Ų indicates high polarity, suggesting Cetocycline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cetocycline has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cetocycline?
The CAS number of Cetocycline is 29144-42-1.
What is the molecular formula of Cetocycline?
The molecular formula of Cetocycline is C22H21NO7.
What is the molecular weight of Cetocycline?
The molecular weight of Cetocycline is 411.1318 g/mol.
Where can I buy Cetocycline?
You can request a quote for Cetocycline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cetocycline?
Yes, CoreyChem provides custom synthesis services for Cetocycline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.