Destruxin E, 2-L-valine-
TL;DR: Destruxin E, 2-L-valine- (CAS 121740-98-5) is a chemical compound with molecular formula C28H45N5O8 and molecular weight 579.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,11,14-trimethyl-3-(oxiran-2-ylmethyl)-13,16-di(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: 2-L-Valinedestruxin E, Destruxin E, 2-L-valine-, SB 242541, 1,10-Dihydroxy-5,8,9-trimethyl-16-[(oxiran-2-yl)methyl]-3,6-di(propan-2-yl)-5,6,8,9,12,13,19,20,21,21a-decahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-4,7,14,17(3H,16H)-tetrone, 10,11,14-trimethyl-3-(oxiran-2-ylmethyl)-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
| Molecular Formula | C28H45N5O8 |
|---|---|
| Molecular Weight | 579.33 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 579.32684 |
| Heavy Atoms | 41 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 121740-98-5 |
|---|---|
| SMILES | CC1C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)NC(C(=O)N(C(C(=O)N1C)C(C)C)C)C(C)C)CC3CO3 |
| InChIKey | NTROAGWHLVLIFR-UHFFFAOYSA-N |
Product Overview
Destruxin E, 2-L-valine- (CAS 121740-98-5), with molecular formula C28H45N5O8 and molecular weight 579.33 g/mol. IUPAC: 10,11,14-trimethyl-3-(oxiran-2-ylmethyl)-13,16-di(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, 2-L-valine-
Property Insights of Destruxin E, 2-L-valine-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Destruxin E, 2-L-valine-. The TPSA of 158.0 Ų indicates high polarity, suggesting Destruxin E, 2-L-valine- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Destruxin E, 2-L-valine- 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, 2-L-valine-?
The CAS number of Destruxin E, 2-L-valine- is 121740-98-5.
What is the molecular formula of Destruxin E, 2-L-valine-?
The molecular formula of Destruxin E, 2-L-valine- is C28H45N5O8.
What is the molecular weight of Destruxin E, 2-L-valine-?
The molecular weight of Destruxin E, 2-L-valine- is 579.33 g/mol.
Where can I buy Destruxin E, 2-L-valine-?
You can request a quote for Destruxin E, 2-L-valine- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Destruxin E, 2-L-valine-?
Yes, KEHONG BIO provides custom synthesis services for Destruxin E, 2-L-valine- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.