Desmethyldestruxin-B
TL;DR: Desmethyldestruxin-B (CAS 27482-48-0) is a chemical compound with molecular formula C29H49N5O7 and molecular weight 579.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-butan-2-yl-10,11-dimethyl-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: Desmethyldestruxin-B, 3-L-Valinedestruxin B, Destruxin B, 3-L-valine-, MEGxm0_000392, 16-butan-2-yl-10,11-dimethyl-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
| Molecular Formula | C29H49N5O7 |
|---|---|
| Molecular Weight | 579.36 g/mol |
| LogP | 0.9738 |
| Topological Polar Surface Area | 154.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 579.3632 |
| Heavy Atoms | 41 |
| Complexity | 984.6022 |
Chemical Identifiers
| CAS Number | 27482-48-0 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(C)C)C)C)C(C)C |
Product Overview
Desmethyldestruxin-B (CAS 27482-48-0), with molecular formula C29H49N5O7 and molecular weight 579.36 g/mol. IUPAC: 16-butan-2-yl-10,11-dimethyl-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 Desmethyldestruxin-B
Property Insights of Desmethyldestruxin-B
The XLogP value of 0.9738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desmethyldestruxin-B. The TPSA of 154.22 Ų indicates high polarity, suggesting Desmethyldestruxin-B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Desmethyldestruxin-B has 3 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 Desmethyldestruxin-B?
The CAS number of Desmethyldestruxin-B is 27482-48-0.
What is the molecular formula of Desmethyldestruxin-B?
The molecular formula of Desmethyldestruxin-B is C29H49N5O7.
What is the molecular weight of Desmethyldestruxin-B?
The molecular weight of Desmethyldestruxin-B is 579.36 g/mol.
Where can I buy Desmethyldestruxin-B?
You can request a quote for Desmethyldestruxin-B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmethyldestruxin-B?
Yes, KEHONG BIO provides custom synthesis services for Desmethyldestruxin-B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.