Patellazole C
TL;DR: Patellazole C (CAS 117527-07-8) is a chemical compound with molecular formula C49H77NO13S and molecular weight 919.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(12E,19E,21E)-24-[(E)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-11-(hydroxymethyl)-18-methoxy-3,6,9,15,19,23-hexamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl] 3-hydroxy-2-methylbutanoate
Also Known As: Patellazole C, [(12E,19E,21E)-24-[(E)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-11-(hydroxymethyl)-18-methoxy-3,6,9,15,19,23-hexamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl] 3-hydroxy-2-methylbutanoate, ((12Z,19E,21E)-24-((Z)-5-(2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl)-2-hydroxy-4-methylpent-3-en-2-yl)-8,16,17-trihydroxy-11-(hydroxymethyl)-18-methoxy-3,6,9,15,19,23-hexamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl) 3-hydroxy-2-methylbutanoate, (12E,19E,21E)-24-{(3E)-5-[2-(2,3-Dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl}-8,16,17-trihydroxy-11-(hydroxymethyl)-18-methoxy-3,6,9,15,19,23-hexamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl 3-hydroxy-2-methylbutanoate, [(12Z,19E,21E)-24-[(Z)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-11-(hydroxymethyl)-18-methoxy-3,6,9,15,19,23-hexamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl] 3-hydroxy-2-methylbutanoate
| Molecular Formula | C49H77NO13S |
|---|---|
| Molecular Weight | 919.51 g/mol |
| LogP | 5.6998 |
| Topological Polar Surface Area | 225.7 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 919.51154 |
| Heavy Atoms | 64 |
| Complexity | 1836.6874 |
Chemical Identifiers
| CAS Number | 117527-07-8 |
|---|---|
| SMILES | CC1CCC(C(=O)OC(C(/C=C/C=C(/C(C(C(C(C/C=C/C(C(=O)C(C(C1)O)C)CO)C)O)O)OC)\C)C)C(C)(/C=C(\C)/CC2=CSC(=N2)C3(C(O3)C)C)O)(C)OC(=O)C(C)C(C)O |
Product Overview
Patellazole C (CAS 117527-07-8), with molecular formula C49H77NO13S and molecular weight 919.51 g/mol. IUPAC: [(12E,19E,21E)-24-[(E)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-11-(hydroxymethyl)-18-methoxy-3,6,9,15,19,23-hexamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl] 3-hydroxy-2-methylbutanoate.
Chemical Property Profile of Patellazole C
Property Insights of Patellazole C
The XLogP value of 5.6998 indicates that Patellazole C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 225.7 Ų indicates high polarity, suggesting Patellazole C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Patellazole C has 6 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 Patellazole C?
The CAS number of Patellazole C is 117527-07-8.
What is the molecular formula of Patellazole C?
The molecular formula of Patellazole C is C49H77NO13S.
What is the molecular weight of Patellazole C?
The molecular weight of Patellazole C is 919.51 g/mol.
Where can I buy Patellazole C?
You can request a quote for Patellazole C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Patellazole C?
Yes, KEHONG BIO provides custom synthesis services for Patellazole C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.