Episcopalidine
TL;DR: Episcopalidine (CAS 83685-24-9) is a chemical compound with molecular formula C30H33NO6 and molecular weight 503.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyloxy-5,7-dimethyl-12-methylidene-10,16-dioxo-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecan-4-yl) benzoate
Also Known As: Episcopalidine, 4,5-Difluorophthaloylfluoride, (3-acetyloxy-5,7-dimethyl-12-methylidene-10,16-dioxo-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecan-4-yl) benzoate, 2-(acetyloxy)-4,21-dimethyl-6,13-dioxo-14,20-cycloatid-16-en-3-yl benzoate, 6,21-Secohetisan-6,13-dione, 2-(acetyloxy)-3-(benzoyloxy)-21-methyl-, (2alpha,3alpha)-
| Molecular Formula | C30H33NO6 |
|---|---|
| Molecular Weight | 503.23 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 503.23077 |
| Heavy Atoms | 37 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 83685-24-9 |
|---|---|
| SMILES | CC(=O)OC1CC23C4CC5C(=C)CC46CC(=O)C2C(C1OC(=O)C7=CC=CC=C7)(CN(C3C6C5=O)C)C |
| InChIKey | PZNXWOJHEGLWBY-UHFFFAOYSA-N |
Product Overview
Episcopalidine (CAS 83685-24-9), with molecular formula C30H33NO6 and molecular weight 503.23 g/mol. IUPAC: (3-acetyloxy-5,7-dimethyl-12-methylidene-10,16-dioxo-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecan-4-yl) benzoate.
Chemical Property Profile of Episcopalidine
Property Insights of Episcopalidine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Episcopalidine. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Episcopalidine. Following Lipinski's Rule of Five, Episcopalidine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Episcopalidine?
The CAS number of Episcopalidine is 83685-24-9.
What is the molecular formula of Episcopalidine?
The molecular formula of Episcopalidine is C30H33NO6.
What is the molecular weight of Episcopalidine?
The molecular weight of Episcopalidine is 503.23 g/mol.
Where can I buy Episcopalidine?
You can request a quote for Episcopalidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Episcopalidine?
Yes, KEHONG BIO provides custom synthesis services for Episcopalidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.