Desmethyl Tacrolimus
TL;DR: Desmethyl Tacrolimus (CAS 132172-14-6) is a chemical compound with molecular formula C43H67NO12 and molecular weight 789.4663 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,14,24-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23-methoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[23.2.1.04,9]octacos-18-ene-2,3,10,16-tetrone
Also Known As: Desmethyl Tacrolimus, (18Z)-1,14,24-Trihydroxy-12-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23-methoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[23.2.1.04,9]octacos-18-ene-2,3,10,16-tetrone, N/A
Technical Specifications
| Molecular Formula | C43H67NO12 |
| Molecular Weight | 789.4663 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 189.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 789.4663 Da |
| Heavy Atoms | 56 |
| Complexity | 1460.0 |
| SMILES | CC1CC(C(C2CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)O)OC |
| InChIKey | OKRZOXIQNKYTBL-UHFFFAOYSA-N |
Chemical Property Profile of Desmethyl Tacrolimus
Property Insights of Desmethyl Tacrolimus
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desmethyl Tacrolimus. The TPSA of 189.0 Ų indicates high polarity, suggesting Desmethyl Tacrolimus may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Desmethyl Tacrolimus has 4 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 Desmethyl Tacrolimus?
The CAS number of Desmethyl Tacrolimus is 132172-14-6.
What is the molecular formula of Desmethyl Tacrolimus?
The molecular formula of Desmethyl Tacrolimus is C43H67NO12.
What is the molecular weight of Desmethyl Tacrolimus?
The molecular weight of Desmethyl Tacrolimus is 789.4663 g/mol.
Where can I buy Desmethyl Tacrolimus?
You can request a quote for Desmethyl Tacrolimus directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Desmethyl Tacrolimus?
Yes, CoreyChem provides custom synthesis services for Desmethyl Tacrolimus and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.