ascomycin
TL;DR: ascomycin (CAS 11011-38-4) is a chemical compound with molecular formula C43H69NO12 and molecular weight 791.482 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
17-ethyl-1,14-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
Also Known As: ascomycin, Tacrolimus Impurity 5, Ascomycin (Immunomycin,FK-520), Ascomycin, Streptomyces hygroscopicus, 17-ethyl-1,14-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C43H69NO12 |
| Molecular Weight | 791.482 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 178.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 791.482 Da |
| Heavy Atoms | 56 |
| Complexity | 1430.0 |
| SMILES | CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC)C)C |
| InChIKey | ZDQSOHOQTUFQEM-UHFFFAOYSA-N |
Chemical Property Profile of ascomycin
Property Insights of ascomycin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ascomycin. The TPSA of 178.0 Ų indicates high polarity, suggesting ascomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ascomycin has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ascomycin?
The CAS number of ascomycin is 11011-38-4.
What is the molecular formula of ascomycin?
The molecular formula of ascomycin is C43H69NO12.
What is the molecular weight of ascomycin?
The molecular weight of ascomycin is 791.482 g/mol.
Where can I buy ascomycin?
You can request a quote for ascomycin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ascomycin?
Yes, CoreyChem provides custom synthesis services for ascomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.