Actinocylbis(threonyl-D-valylproline meethyl ester)
TL;DR: Actinocylbis(threonyl-D-valylproline meethyl ester) (CAS 66682-48-2) is a chemical compound with molecular formula C46H62N8O14 and molecular weight 950.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[2-[[2-[[8-amino-9-[[3-hydroxy-1-[[1-(2-methoxycarbonylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate
Also Known As: Actinocylbis(threonyl-D-valylproline meethyl ester), Actinocylbis(threonyl-d-valyl-4'-oxoproline Methyl Ester, Actinomycindioic D acid, 4A-de(N-methylglycine)-4B-de(N-methylglycine)-5A-de(N-methyl-L-valine)-5B-de(N-methyl-L-valine)-, dimethyl ester, methyl 1-[2-[[2-[[8-amino-9-[[3-hydroxy-1-[[1-(2-methoxycarbonylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate
| Molecular Formula | C46H62N8O14 |
|---|---|
| Molecular Weight | 950.44 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 315.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 18 |
| Exact Mass | 950.43854 |
| Heavy Atoms | 68 |
| Complexity | 2140.0 |
Chemical Identifiers
| CAS Number | 66682-48-2 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)OC)N=C4C(=C(C(=O)C(=C4O2)C)N)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)OC |
| InChIKey | JNJKXORSJQNNCK-UHFFFAOYSA-N |
Product Overview
Actinocylbis(threonyl-D-valylproline meethyl ester) (CAS 66682-48-2), with molecular formula C46H62N8O14 and molecular weight 950.44 g/mol. IUPAC: methyl 1-[2-[[2-[[8-amino-9-[[3-hydroxy-1-[[1-(2-methoxycarbonylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate.
Chemical Property Profile of Actinocylbis(threonyl-D-valylproline meethyl ester)
Property Insights of Actinocylbis(threonyl-D-valylproline meethyl ester)
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Actinocylbis(threonyl-D-valylproline meethyl ester). The TPSA of 315.0 Ų indicates high polarity, suggesting Actinocylbis(threonyl-D-valylproline meethyl ester) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Actinocylbis(threonyl-D-valylproline meethyl ester) has 7 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-D-valylproline meethyl ester)?
The CAS number of Actinocylbis(threonyl-D-valylproline meethyl ester) is 66682-48-2.
What is the molecular formula of Actinocylbis(threonyl-D-valylproline meethyl ester)?
The molecular formula of Actinocylbis(threonyl-D-valylproline meethyl ester) is C46H62N8O14.
What is the molecular weight of Actinocylbis(threonyl-D-valylproline meethyl ester)?
The molecular weight of Actinocylbis(threonyl-D-valylproline meethyl ester) is 950.44 g/mol.
Where can I buy Actinocylbis(threonyl-D-valylproline meethyl ester)?
You can request a quote for Actinocylbis(threonyl-D-valylproline meethyl 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-D-valylproline meethyl ester)?
Yes, KEHONG BIO provides custom synthesis services for Actinocylbis(threonyl-D-valylproline meethyl ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.