7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin
TL;DR: 7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin (CAS 745779-75-3) is a chemical compound with molecular formula C52H81NO14 and molecular weight 943.57 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)-1,18,30-trihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-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: O-Desmethyl Everolimus, 16-O-Demethyl-sdz rad, 16-O-Demethyl-everolimus, Everolimus Impurity 5, Everolimus 30-o-desmethyl impurity
| Molecular Formula | C52H81NO14 |
|---|---|
| Molecular Weight | 943.57 g/mol |
| LogP | 5.5431 |
| Topological Polar Surface Area | 215.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 943.56573 |
| Heavy Atoms | 67 |
| Complexity | 1791.828 |
Chemical Identifiers
| CAS Number | 745779-75-3 |
|---|---|
| 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)OCCO)C)/C)O)OC)C)C)/C)O |
Product Overview
7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin (CAS 745779-75-3), with molecular formula C52H81NO14 and molecular weight 943.57 g/mol. IUPAC: (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18,30-trihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-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 7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin
Property Insights of 7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin
The XLogP value of 5.5431 indicates that 7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 215.66 Ų indicates high polarity, suggesting 7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin?
The CAS number of 7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin is 745779-75-3.
What is the molecular formula of 7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin?
The molecular formula of 7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin is C52H81NO14.
What is the molecular weight of 7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin?
The molecular weight of 7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin is 943.57 g/mol.
Where can I buy 7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin?
You can request a quote for 7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin?
Yes, KEHONG BIO provides custom synthesis services for 7-O-Demethyl-42-O-(2-hydroxyethyl)rapamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.