Actinocylbis(threonyl-D-valine)
TL;DR: Actinocylbis(threonyl-D-valine) (CAS 14511-92-3) is a chemical compound with molecular formula C34H44N6O12 and molecular weight 728.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[2-[[1-[8-amino-9-[1-[[2-[[(1S)-1-carboxy-2-methylpropyl]amino]-2-oxoacetyl]amino]-2-hydroxypropyl]-4,6-dimethyl-7-oxophenoxazin-1-yl]-2-hydroxypropyl]amino]-2-oxoacetyl]amino]-3-methylbutanoic acid
Also Known As: ACTINOMYCIN ANALOG, Actinocylbis(threonyl-D-valine), (2S)-2-[[2-[[1-[8-amino-9-[2-hydroxy-1-[[2-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]amino]propyl]-4,6-dimethyl-7-oxophenoxazin-1-yl]-2-hydroxypropyl]amino]-2-oxoacetyl]amino]-3-methylbutanoic acid, Valine, N,N'-((2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-diyl)bis(carbonylimino(2-hydroxypropylidene)carbonyl))di-, D-
| Molecular Formula | C34H44N6O12 |
|---|---|
| Molecular Weight | 728.30 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 296.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 12 |
| Exact Mass | 728.3017 |
| Heavy Atoms | 52 |
| Complexity | 1590.0 |
Chemical Identifiers
| CAS Number | 14511-92-3 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)C(C(C)O)NC(=O)C(=O)N[C@@H](C(C)C)C(=O)O)N=C3C(=C(C(=O)C(=C3O2)C)N)C(C(C)O)NC(=O)C(=O)N[C@@H](C(C)C)C(=O)O |
| InChIKey | PFMSPRKSFJJRHB-WIAXAIIUSA-N |
Product Overview
Actinocylbis(threonyl-D-valine) (CAS 14511-92-3), with molecular formula C34H44N6O12 and molecular weight 728.30 g/mol. IUPAC: (2S)-2-[[2-[[1-[8-amino-9-[1-[[2-[[(1S)-1-carboxy-2-methylpropyl]amino]-2-oxoacetyl]amino]-2-hydroxypropyl]-4,6-dimethyl-7-oxophenoxazin-1-yl]-2-hydroxypropyl]amino]-2-oxoacetyl]amino]-3-methylbutanoic acid.
Chemical Property Profile of Actinocylbis(threonyl-D-valine)
Property Insights of Actinocylbis(threonyl-D-valine)
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Actinocylbis(threonyl-D-valine). The TPSA of 296.0 Ų indicates high polarity, suggesting Actinocylbis(threonyl-D-valine) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Actinocylbis(threonyl-D-valine) has 9 hydrogen bond donor(s) and 14 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)?
The CAS number of Actinocylbis(threonyl-D-valine) is 14511-92-3.
What is the molecular formula of Actinocylbis(threonyl-D-valine)?
The molecular formula of Actinocylbis(threonyl-D-valine) is C34H44N6O12.
What is the molecular weight of Actinocylbis(threonyl-D-valine)?
The molecular weight of Actinocylbis(threonyl-D-valine) is 728.30 g/mol.
Where can I buy Actinocylbis(threonyl-D-valine)?
You can request a quote for Actinocylbis(threonyl-D-valine) 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)?
Yes, KEHONG BIO provides custom synthesis services for Actinocylbis(threonyl-D-valine) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.