Actinocylbis(threonyl(O-acetyl)-D-valine methyl ester
TL;DR: Actinocylbis(threonyl(O-acetyl)-D-valine methyl ester (CAS 66682-45-9) is a chemical compound with molecular formula C40H52N6O14 and molecular weight 840.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-acetyloxy-2-[[9-[[(2S,3R)-3-acetyloxy-1-[[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]-8-amino-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]amino]butanoyl]amino]-3-methylbutanoate
Also Known As: Actinocylbis(threonyl(O-acetyl)-D-valine methyl ester, D-Valine, N-(O-acetyl-N-((9-(((2-(acetyloxy)-1-(((1-(methoxycarbonyl)-2-methylpropyl)amino)carbonyl)propyl)amino)carbonyl)-2-amino-4,6-dimethyl-3-oxo-3H-phenoxazin-1-yl)carbonyl)-L-threonyl)-, methyl ester, (1S-(1R*(S*),2S*))-, METHYL (2R)-2-[[(2S,3R)-3-ACETYLOXY-2-[[9-[[2-ACETYLOXY-1-[(1-METHOXYCARBONYL-2-METHYL-PROPYL)CARBAMOYL]PROPYL]CARBAMOYL]-2-AMINO-4,6-DIMETHYL-3-OXO-PHENOXAZINE-1-CARBONYL]AMINO]BUTANOYL]AMINO]-3-METHYL-BUTANOATE, methyl 2-[[3-acetyloxy-2-[[9-[[(2S,3R)-3-acetyloxy-1-[[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]-8-amino-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]amino]butanoyl]amino]-3-methylbutanoate
| Molecular Formula | C40H52N6O14 |
|---|---|
| Molecular Weight | 840.35 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 286.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 20 |
| Exact Mass | 840.3541 |
| Heavy Atoms | 60 |
| Complexity | 1850.0 |
Chemical Identifiers
| CAS Number | 66682-45-9 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)C(=O)NC(C(C)OC(=O)C)C(=O)NC(C(C)C)C(=O)OC)N=C3C(=C(C(=O)C(=C3O2)C)N)C(=O)N[C@@H]([C@@H](C)OC(=O)C)C(=O)N[C@H](C(C)C)C(=O)OC |
| InChIKey | GQTDBQIBBFMULZ-YRLWXYAYSA-N |
Product Overview
Actinocylbis(threonyl(O-acetyl)-D-valine methyl ester (CAS 66682-45-9), with molecular formula C40H52N6O14 and molecular weight 840.35 g/mol. IUPAC: methyl 2-[[3-acetyloxy-2-[[9-[[(2S,3R)-3-acetyloxy-1-[[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]-8-amino-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]amino]butanoyl]amino]-3-methylbutanoate.
Chemical Property Profile of Actinocylbis(threonyl(O-acetyl)-D-valine methyl ester
Property Insights of Actinocylbis(threonyl(O-acetyl)-D-valine methyl ester
The XLogP value of 3.0 indicates that Actinocylbis(threonyl(O-acetyl)-D-valine methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 286.0 Ų indicates high polarity, suggesting Actinocylbis(threonyl(O-acetyl)-D-valine methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Actinocylbis(threonyl(O-acetyl)-D-valine methyl ester has 5 hydrogen bond donor(s) and 16 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(O-acetyl)-D-valine methyl ester?
The CAS number of Actinocylbis(threonyl(O-acetyl)-D-valine methyl ester is 66682-45-9.
What is the molecular formula of Actinocylbis(threonyl(O-acetyl)-D-valine methyl ester?
The molecular formula of Actinocylbis(threonyl(O-acetyl)-D-valine methyl ester is C40H52N6O14.
What is the molecular weight of Actinocylbis(threonyl(O-acetyl)-D-valine methyl ester?
The molecular weight of Actinocylbis(threonyl(O-acetyl)-D-valine methyl ester is 840.35 g/mol.
Where can I buy Actinocylbis(threonyl(O-acetyl)-D-valine methyl ester?
You can request a quote for Actinocylbis(threonyl(O-acetyl)-D-valine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Actinocylbis(threonyl(O-acetyl)-D-valine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Actinocylbis(threonyl(O-acetyl)-D-valine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.