Protodestruxin
TL;DR: Protodestruxin (CAS 38668-43-8) is a chemical compound with molecular formula C28H47N5O7 and molecular weight 565.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-butan-2-yl-10-methyl-3-(2-methylpropyl)-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: Protodestruxin, Destruxin protoB, 16-butan-2-yl-10-methyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone, 3-(Butan-2-yl)-1,4,7,10-tetrahydroxy-9-methyl-16-(2-methylpropyl)-6-(propan-2-yl)-6,9,12,13,19,20,21,21a-octahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-14,17(3H,16H)-dione
| Molecular Formula | C28H47N5O7 |
|---|---|
| Molecular Weight | 565.35 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 565.34753 |
| Heavy Atoms | 40 |
| Complexity | 953.0 |
Chemical Identifiers
| CAS Number | 38668-43-8 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(C)C)C)C(C)C |
| InChIKey | WLMXKXWQSABLMV-UHFFFAOYSA-N |
Product Overview
Protodestruxin (CAS 38668-43-8), with molecular formula C28H47N5O7 and molecular weight 565.35 g/mol. IUPAC: 16-butan-2-yl-10-methyl-3-(2-methylpropyl)-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 Protodestruxin
Property Insights of Protodestruxin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Protodestruxin. The TPSA of 163.0 Ų indicates high polarity, suggesting Protodestruxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Protodestruxin has 4 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 Protodestruxin?
The CAS number of Protodestruxin is 38668-43-8.
What is the molecular formula of Protodestruxin?
The molecular formula of Protodestruxin is C28H47N5O7.
What is the molecular weight of Protodestruxin?
The molecular weight of Protodestruxin is 565.35 g/mol.
Where can I buy Protodestruxin?
You can request a quote for Protodestruxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Protodestruxin?
Yes, KEHONG BIO provides custom synthesis services for Protodestruxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.