Actinocylbis(threonyl-d-valine Methylamide)
TL;DR: Actinocylbis(threonyl-d-valine Methylamide) (CAS 66682-46-0) is a chemical compound with molecular formula C36H50N8O10 and molecular weight 754.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-N-[(2S,3R)-3-hydroxy-1-[[(2R)-3-methyl-2-(methylamino)butanoyl]amino]-1-oxobutan-2-yl]-9-N-[3-hydroxy-1-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide
Also Known As: Actinocylbis(threonyl-d-valine Methylamide), D-Valinamide, N-((2-amino-9-(((2-hydroxy-1-(((2-methyl-1-((methylamino)carbonyl)propyl)amino)carbonyl)propyl)amino)carbonyl)-4,6-dimethyl-3-oxo-3H-phenoxazin-1-yl)carbonyl)-L-threonyl-N-methyl-, (1S-(1R*(S*),2S*))-, 2-amino-1-N-[(2S,3R)-3-hydroxy-1-[[(2R)-3-methyl-2-(methylamino)butanoyl]amino]-1-oxobutan-2-yl]-9-N-[3-hydroxy-1-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide
| Molecular Formula | C36H50N8O10 |
|---|---|
| Molecular Weight | 754.37 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 280.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 754.365 |
| Heavy Atoms | 54 |
| Complexity | 1620.0 |
Chemical Identifiers
| CAS Number | 66682-46-0 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NC)N=C3C(=C(C(=O)C(=C3O2)C)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NC(=O)[C@@H](C(C)C)NC |
| InChIKey | UZRMVJRWYQQNQU-VFLHEWLHSA-N |
Product Overview
Actinocylbis(threonyl-d-valine Methylamide) (CAS 66682-46-0), with molecular formula C36H50N8O10 and molecular weight 754.37 g/mol. IUPAC: 2-amino-1-N-[(2S,3R)-3-hydroxy-1-[[(2R)-3-methyl-2-(methylamino)butanoyl]amino]-1-oxobutan-2-yl]-9-N-[3-hydroxy-1-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide.
Chemical Property Profile of Actinocylbis(threonyl-d-valine Methylamide)
Property Insights of Actinocylbis(threonyl-d-valine Methylamide)
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Actinocylbis(threonyl-d-valine Methylamide). The TPSA of 280.0 Ų indicates high polarity, suggesting Actinocylbis(threonyl-d-valine Methylamide) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Actinocylbis(threonyl-d-valine Methylamide) has 9 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Actinocylbis(threonyl-d-valine Methylamide)?
The CAS number of Actinocylbis(threonyl-d-valine Methylamide) is 66682-46-0.
What is the molecular formula of Actinocylbis(threonyl-d-valine Methylamide)?
The molecular formula of Actinocylbis(threonyl-d-valine Methylamide) is C36H50N8O10.
What is the molecular weight of Actinocylbis(threonyl-d-valine Methylamide)?
The molecular weight of Actinocylbis(threonyl-d-valine Methylamide) is 754.37 g/mol.
Where can I buy Actinocylbis(threonyl-d-valine Methylamide)?
You can request a quote for Actinocylbis(threonyl-d-valine Methylamide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Actinocylbis(threonyl-d-valine Methylamide)?
Yes, KEHONG BIO provides custom synthesis services for Actinocylbis(threonyl-d-valine Methylamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.