Destruxin E
TL;DR: Destruxin E (CAS 76689-14-0) is a chemical compound with molecular formula C29H47N5O8 and molecular weight 593.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-butan-2-yl-10,11,14-trimethyl-3-(oxiran-2-ylmethyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Also Known As: Destruxin E, Destruxin DE, E-Destruxin, NCI60_003291, 16-butan-2-yl-10,11,14-trimethyl-3-(oxiran-2-ylmethyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
| Molecular Formula | C29H47N5O8 |
|---|---|
| Molecular Weight | 593.34 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 593.34247 |
| Heavy Atoms | 42 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 76689-14-0 |
|---|---|
| SMILES | CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC3CO3)C)C)C(C)C)C |
| InChIKey | NIAYGGCQOYIHAF-UHFFFAOYSA-N |
Product Overview
Destruxin E (CAS 76689-14-0), with molecular formula C29H47N5O8 and molecular weight 593.34 g/mol. IUPAC: 16-butan-2-yl-10,11,14-trimethyl-3-(oxiran-2-ylmethyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone.
Chemical Property Profile of Destruxin E
Property Insights of Destruxin E
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Destruxin E. The TPSA of 158.0 Ų indicates high polarity, suggesting Destruxin E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Destruxin E has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Destruxin E?
The CAS number of Destruxin E is 76689-14-0.
What is the molecular formula of Destruxin E?
The molecular formula of Destruxin E is C29H47N5O8.
What is the molecular weight of Destruxin E?
The molecular weight of Destruxin E is 593.34 g/mol.
Where can I buy Destruxin E?
You can request a quote for Destruxin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Destruxin E?
Yes, KEHONG BIO provides custom synthesis services for Destruxin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.