Tacrolimus 31 DMT
TL;DR: Tacrolimus 31 DMT (CAS 135635-47-1) 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.
12-[1-(3,4-dihydroxycyclohexyl)prop-1-en-2-yl]-1,14-dihydroxy-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 31 DMT, 31-O-Demethyltacrolimus, 12-[1-(3,4-Dihydroxycyclohexyl)prop-1-en-2-yl]-1,14-dihydroxy-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, 17-Allyl-1,14-dihydroxy-12-[2-(3,4-dihydroxycyclohexyl)-1-methylvinyl]-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-tetraone
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
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(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)O)O)C)O)C)OC)OC |
| InChIKey | VHOPGJHKSPGXIZ-UHFFFAOYSA-N |
Chemical Property Profile of Tacrolimus 31 DMT
Property Insights of Tacrolimus 31 DMT
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tacrolimus 31 DMT. The TPSA of 189.0 Ų indicates high polarity, suggesting Tacrolimus 31 DMT may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tacrolimus 31 DMT 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 Tacrolimus 31 DMT?
The CAS number of Tacrolimus 31 DMT is 135635-47-1.
What is the molecular formula of Tacrolimus 31 DMT?
The molecular formula of Tacrolimus 31 DMT is C43H67NO12.
What is the molecular weight of Tacrolimus 31 DMT?
The molecular weight of Tacrolimus 31 DMT is 789.4663 g/mol.
Where can I buy Tacrolimus 31 DMT?
You can request a quote for Tacrolimus 31 DMT directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tacrolimus 31 DMT?
Yes, CoreyChem provides custom synthesis services for Tacrolimus 31 DMT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.