Tacrolimus Impurity 7
TL;DR: Tacrolimus Impurity 7 (CAS 124554-37-6) is a chemical compound with molecular formula C44H69NO13 and molecular weight 819.47687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-(2-oxopropyl)-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
Also Known As: Tacrolimus Impurity 7, FK 1706 [WHO-DD], J3.080.894K, (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-(2-oxopropyl)-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
Technical Specifications
| Molecular Formula | C44H69NO13 |
| Molecular Weight | 819.47687 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 195.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 819.47687 Da |
| Heavy Atoms | 58 |
| Complexity | 1530.0 |
| SMILES | C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC(=O)C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC |
| InChIKey | DHEMNTLAGYUASY-BABZEESQSA-N |
Chemical Property Profile of Tacrolimus Impurity 7
Property Insights of Tacrolimus Impurity 7
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tacrolimus Impurity 7. The TPSA of 195.0 Ų indicates high polarity, suggesting Tacrolimus Impurity 7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tacrolimus Impurity 7 has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Tacrolimus Impurity 7?
The CAS number of Tacrolimus Impurity 7 is 124554-37-6.
What is the molecular formula of Tacrolimus Impurity 7?
The molecular formula of Tacrolimus Impurity 7 is C44H69NO13.
What is the molecular weight of Tacrolimus Impurity 7?
The molecular weight of Tacrolimus Impurity 7 is 819.47687 g/mol.
Where can I buy Tacrolimus Impurity 7?
You can request a quote for Tacrolimus Impurity 7 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tacrolimus Impurity 7?
Yes, CoreyChem provides custom synthesis services for Tacrolimus Impurity 7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.