Benzenebutanoic acid, beta,beta'-oxybis(alpha,2-diamino-gamma-oxo-
TL;DR: Benzenebutanoic acid, beta,beta'-oxybis(alpha,2-diamino-gamma-oxo- (CAS 32447-45-3) is a chemical compound with molecular formula C20H22N4O7 and molecular weight 430.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[1-amino-3-(2-aminophenyl)-1-carboxy-3-oxopropan-2-yl]oxy-4-(2-aminophenyl)-4-oxobutanoic acid
Also Known As: 3-Oxykynurenine, Benzenebutanoic acid, beta,beta'-oxybis(alpha,2-diamino-gamma-oxo-, 3,3'-oxybis[2-amino-4-(2-aminophenyl)-4-oxobutanoic acid], Benzenebutanoic acid, .beta.,.beta.'-oxybis[.alpha.,2-diamino-.gamma.-oxo-, 2-amino-3-[3-amino-1-(2-aminophenyl)-4-hydroxy-1,4-dioxobutan-2-yl]oxy-4-(2-aminophenyl)-4-oxobutanoic acid
| Molecular Formula | C20H22N4O7 |
|---|---|
| Molecular Weight | 430.15 g/mol |
| LogP | -4.5 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 430.14883 |
| Heavy Atoms | 31 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 32447-45-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C(C(C(=O)O)N)OC(C(C(=O)O)N)C(=O)C2=CC=CC=C2N)N |
| InChIKey | PLLBOFKHLCBWQT-UHFFFAOYSA-N |
Product Overview
Benzenebutanoic acid, beta,beta'-oxybis(alpha,2-diamino-gamma-oxo- (CAS 32447-45-3), with molecular formula C20H22N4O7 and molecular weight 430.15 g/mol. IUPAC: 2-amino-3-[1-amino-3-(2-aminophenyl)-1-carboxy-3-oxopropan-2-yl]oxy-4-(2-aminophenyl)-4-oxobutanoic acid.
Chemical Property Profile of Benzenebutanoic acid, beta,beta'-oxybis(alpha,2-diamino-gamma-oxo-
Property Insights of Benzenebutanoic acid, beta,beta'-oxybis(alpha,2-diamino-gamma-oxo-
The XLogP value of -4.5 indicates that Benzenebutanoic acid, beta,beta'-oxybis(alpha,2-diamino-gamma-oxo- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 222.0 Ų indicates high polarity, suggesting Benzenebutanoic acid, beta,beta'-oxybis(alpha,2-diamino-gamma-oxo- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenebutanoic acid, beta,beta'-oxybis(alpha,2-diamino-gamma-oxo- has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenebutanoic acid, beta,beta'-oxybis(alpha,2-diamino-gamma-oxo-?
The CAS number of Benzenebutanoic acid, beta,beta'-oxybis(alpha,2-diamino-gamma-oxo- is 32447-45-3.
What is the molecular formula of Benzenebutanoic acid, beta,beta'-oxybis(alpha,2-diamino-gamma-oxo-?
The molecular formula of Benzenebutanoic acid, beta,beta'-oxybis(alpha,2-diamino-gamma-oxo- is C20H22N4O7.
What is the molecular weight of Benzenebutanoic acid, beta,beta'-oxybis(alpha,2-diamino-gamma-oxo-?
The molecular weight of Benzenebutanoic acid, beta,beta'-oxybis(alpha,2-diamino-gamma-oxo- is 430.15 g/mol.
Where can I buy Benzenebutanoic acid, beta,beta'-oxybis(alpha,2-diamino-gamma-oxo-?
You can request a quote for Benzenebutanoic acid, beta,beta'-oxybis(alpha,2-diamino-gamma-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanoic acid, beta,beta'-oxybis(alpha,2-diamino-gamma-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanoic acid, beta,beta'-oxybis(alpha,2-diamino-gamma-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.