Zotarolimus
TL;DR: Zotarolimus (CAS 221877-54-9) is a chemical compound with molecular formula C52H79N5O12 and molecular weight 965.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-12-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-1-yl)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
Also Known As: Zotarolimus, zotarilumus, zotarolimusum, Zatarolimus, Endeavor
| Molecular Formula | C52H79N5O12 |
|---|---|
| Molecular Weight | 965.57 g/mol |
| LogP | 6.0475 |
| Topological Polar Surface Area | 218.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 965.5725 |
| Heavy Atoms | 69 |
| Complexity | 2020.172 |
Chemical Identifiers
| CAS Number | 221877-54-9 |
|---|---|
| SMILES | C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@@H]([C@@H](C4)OC)N5C=NN=N5)C)/C)O)OC)C)C)/C)OC |
Product Overview
Zotarolimus (CAS 221877-54-9), with molecular formula C52H79N5O12 and molecular weight 965.57 g/mol. IUPAC: (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-12-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-1-yl)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone.
Chemical Property Profile of Zotarolimus
Property Insights of Zotarolimus
The XLogP value of 6.0475 indicates that Zotarolimus is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 218.8 Ų indicates high polarity, suggesting Zotarolimus may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Zotarolimus has 2 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Zotarolimus?
The CAS number of Zotarolimus is 221877-54-9.
What is the molecular formula of Zotarolimus?
The molecular formula of Zotarolimus is C52H79N5O12.
What is the molecular weight of Zotarolimus?
The molecular weight of Zotarolimus is 965.57 g/mol.
Where can I buy Zotarolimus?
You can request a quote for Zotarolimus directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zotarolimus?
Yes, KEHONG BIO provides custom synthesis services for Zotarolimus and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.