Homodestruxin B
TL;DR: Homodestruxin B (CAS 110538-19-7) is a chemical compound with molecular formula C31H53N5O7 and molecular weight 607.3945 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,10S,16S,19S)-13,16-bis[(2S)-butan-2-yl]-10,11,14-trimethyl-3-(2-methylpropyl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Also Known As: Homodestruxin B, Homo-destruxin B, Destruxin B, 3-(N-methyl-L-isoleucine)-, (3R,10S,16S,19S)-13,16-bis[(2S)-butan-2-yl]-10,11,14-trimethyl-3-(2-methylpropyl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone, 3-Isopropylcyclo[D-Lac-L-Pro-L-Ile-N-methyl-L-Ile-N-methyl-L-Ala-betaAla-]
Technical Specifications
| Molecular Formula | C31H53N5O7 |
| Molecular Weight | 607.3945 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 607.3945 Da |
| Heavy Atoms | 43 |
| Complexity | 1030.0 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N(C(C(=O)N([C@H](C(=O)NCCC(=O)O[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)CC(C)C)C)C)[C@@H](C)CC)C |
| InChIKey | WWALEZSSEHJILM-GNUKRQLOSA-N |
Chemical Property Profile of Homodestruxin B
Property Insights of Homodestruxin B
The XLogP value of 3.2 indicates that Homodestruxin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting Homodestruxin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Homodestruxin B has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Homodestruxin B?
The CAS number of Homodestruxin B is 110538-19-7.
What is the molecular formula of Homodestruxin B?
The molecular formula of Homodestruxin B is C31H53N5O7.
What is the molecular weight of Homodestruxin B?
The molecular weight of Homodestruxin B is 607.3945 g/mol.
Where can I buy Homodestruxin B?
You can request a quote for Homodestruxin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Homodestruxin B?
Yes, CoreyChem provides custom synthesis services for Homodestruxin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.