Patellamide E
TL;DR: Patellamide E (CAS 140430-46-2) is a chemical compound with molecular formula C39H50N8O6S2 and molecular weight 790.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-benzyl-4-butan-2-yl-7,21-dimethyl-18,25-di(propan-2-yl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone
Also Known As: Patellamide E, 11-Benzyl-4-butan-2-yl-7,21-dimethyl-18,25-di(propan-2-yl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone, Ulithiacyclamide, 1,15-de(dithiobis(methylene))-8,22-dide(2-methylpropyl)-1,8-bis(1-methylethyl)-15-(1-methylpropyl)-22-(phenylmethyl)-, (1S,15S)-, 11-Benzyl-4-(butan-2-yl)-7,21-dimethyl-18,25-di(propan-2-yl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.1~5,8~.1~12,15~.1~19,22~]dotriaconta-1(28),2,5(32),9,12(31),14,16,19(30),23,26(29)-decaene-2,9,16,23-tetrol, 6-Benzyl-10-(butan-2-yl)-1~5~,9~5~-dimethyl-2,14-di(propan-2-yl)-3,7,11,15-tetraaza-1(2,4),9(4,2)-di([1,3]oxazola)-5,13(4,2)-di([1,3]thiazola)cyclohexadecaphane-3,7,11,15-tetraene-4,8,12,16-tetrol
| Molecular Formula | C39H50N8O6S2 |
|---|---|
| Molecular Weight | 790.33 g/mol |
| LogP | 4.7972 |
| Topological Polar Surface Area | 185.36 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 790.32947 |
| Heavy Atoms | 55 |
| Complexity | 1943.6356 |
Chemical Identifiers
| CAS Number | 140430-46-2 |
|---|---|
| SMILES | CCC(C)C1C2=NC(C(O2)C)C(=O)NC(C3=NC(=CS3)C(=O)NC(C4=NC(C(O4)C)C(=O)NC(C5=NC(=CS5)C(=O)N1)C(C)C)C(C)C)CC6=CC=CC=C6 |
Product Overview
Patellamide E (CAS 140430-46-2), with molecular formula C39H50N8O6S2 and molecular weight 790.33 g/mol. IUPAC: 11-benzyl-4-butan-2-yl-7,21-dimethyl-18,25-di(propan-2-yl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone.
Chemical Property Profile of Patellamide E
Property Insights of Patellamide E
The XLogP value of 4.7972 indicates that Patellamide E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.36 Ų indicates high polarity, suggesting Patellamide E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Patellamide E has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Patellamide E?
The CAS number of Patellamide E is 140430-46-2.
What is the molecular formula of Patellamide E?
The molecular formula of Patellamide E is C39H50N8O6S2.
What is the molecular weight of Patellamide E?
The molecular weight of Patellamide E is 790.33 g/mol.
Where can I buy Patellamide E?
You can request a quote for Patellamide E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Patellamide E?
Yes, KEHONG BIO provides custom synthesis services for Patellamide E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.