Pimecrolimus
TL;DR: Pimecrolimus (CAS 137071-32-0) is a chemical compound with molecular formula C43H68ClNO11 and molecular weight 809.4481 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-12-[1-[(1R,3R,4S)-4-chloro-3-methoxycyclohexyl]prop-1-en-2-yl]-17-ethyl-1,14-dihydroxy-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: Pimecrolimus, Elidel, SDZ-ASM 981, Pimecrolimus [USAN:INN:BAN], 33-epi-Chloro-33-desoxyascomycin
Technical Specifications
| Molecular Formula | C43H68ClNO11 |
| Molecular Weight | 809.4481 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 809.4481 Da |
| Heavy Atoms | 56 |
| Complexity | 1440.0 |
| SMILES | CC[C@@H]1C=C(C[C@@H](C[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](CC1=O)O)C)C(=C[C@@H]4CC[C@@H]([C@@H](C4)OC)Cl)C)O)C)OC)OC)C)C |
| InChIKey | KASDHRXLYQOAKZ-QJBCOTQNSA-N |
Chemical Property Profile of Pimecrolimus
Property Insights of Pimecrolimus
The XLogP value of 3.8 indicates that Pimecrolimus is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting Pimecrolimus may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pimecrolimus has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pimecrolimus?
The CAS number of Pimecrolimus is 137071-32-0.
What is the molecular formula of Pimecrolimus?
The molecular formula of Pimecrolimus is C43H68ClNO11.
What is the molecular weight of Pimecrolimus?
The molecular weight of Pimecrolimus is 809.4481 g/mol.
Where can I buy Pimecrolimus?
You can request a quote for Pimecrolimus directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pimecrolimus?
Yes, CoreyChem provides custom synthesis services for Pimecrolimus and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.