Tacrolimus-13C,D2
TL;DR: Tacrolimus-13C,D2 (CAS 104987-11-3) is a chemical compound with molecular formula C44H69NO12 and molecular weight 803.482 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,14-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
Also Known As: tacrolimus, Tacrolimus-13C,D2, 8-Epitacrolimus, Tacrolimus (monohydrate), FK-506 (Tacrolimus)
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C44H69NO12 |
| Molecular Weight | 803.482 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 178.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 803.482 Da |
| Heavy Atoms | 57 |
| Complexity | 1480.0 |
| SMILES | CC1CC(C2C(CC(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)OC)OC |
| InChIKey | QJJXYPPXXYFBGM-UHFFFAOYSA-N |
Product Description
Applications: Tacrolimus-13C,D2 is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Tacrolimus-13C,D2 is a pharmaceutical intermediate identified by CAS number 104987-11-3 and the molecular formula C44H69NO12 and a molecular weight of 803.48 g/mol. Synonyms include tacrolimus and Tacrolimus-13C,D2.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Tacrolimus-13C,D2
Property Insights of Tacrolimus-13C,D2
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tacrolimus-13C,D2. The TPSA of 178.0 Ų indicates high polarity, suggesting Tacrolimus-13C,D2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tacrolimus-13C,D2 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 Tacrolimus-13C,D2?
The CAS number of Tacrolimus-13C,D2 is 104987-11-3.
What is the molecular formula of Tacrolimus-13C,D2?
The molecular formula of Tacrolimus-13C,D2 is C44H69NO12.
What is the molecular weight of Tacrolimus-13C,D2?
The molecular weight of Tacrolimus-13C,D2 is 803.482 g/mol.
What are the applications of Tacrolimus-13C,D2?
Tacrolimus-13C,D2 is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Tacrolimus-13C,D2?
You can request a quote for Tacrolimus-13C,D2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tacrolimus-13C,D2?
Yes, CoreyChem provides custom synthesis services for Tacrolimus-13C,D2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.