Benzenebutanoic acid, alpha,2-diamino-3-methoxy-gamma-oxo-, methyl ester
TL;DR: Benzenebutanoic acid, alpha,2-diamino-3-methoxy-gamma-oxo-, methyl ester (CAS 55090-41-0) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-4-(2-amino-3-methoxyphenyl)-4-oxobutanoate
Also Known As: Methyl 2-amino-4-(2-amino-3-methoxyphenyl)-4-oxobutanoate, 2,alpha-Diamino-3-methoxy-gamma-oxobenzenebutyric acid methyl ester, Benzenebutanoic acid, .alpha.,2-diamino-3-methoxy-.gamma.-oxo-, methyl ester, Methyl 2-amino-4-(2-amino-3-methoxyphenyl)-4-oxobutanoate #
| Molecular Formula | C12H16N2O4 |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.11101 |
| Heavy Atoms | 18 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 55090-41-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1N)C(=O)CC(C(=O)OC)N |
| InChIKey | DJEGAQFFQMBWEA-UHFFFAOYSA-N |
Product Overview
Benzenebutanoic acid, alpha,2-diamino-3-methoxy-gamma-oxo-, methyl ester (CAS 55090-41-0), with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol. IUPAC: methyl 2-amino-4-(2-amino-3-methoxyphenyl)-4-oxobutanoate.
Chemical Property Profile of Benzenebutanoic acid, alpha,2-diamino-3-methoxy-gamma-oxo-, methyl ester
Property Insights of Benzenebutanoic acid, alpha,2-diamino-3-methoxy-gamma-oxo-, methyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenebutanoic acid, alpha,2-diamino-3-methoxy-gamma-oxo-, methyl ester. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenebutanoic acid, alpha,2-diamino-3-methoxy-gamma-oxo-, methyl ester. Following Lipinski's Rule of Five, Benzenebutanoic acid, alpha,2-diamino-3-methoxy-gamma-oxo-, methyl ester has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenebutanoic acid, alpha,2-diamino-3-methoxy-gamma-oxo-, methyl ester?
The CAS number of Benzenebutanoic acid, alpha,2-diamino-3-methoxy-gamma-oxo-, methyl ester is 55090-41-0.
What is the molecular formula of Benzenebutanoic acid, alpha,2-diamino-3-methoxy-gamma-oxo-, methyl ester?
The molecular formula of Benzenebutanoic acid, alpha,2-diamino-3-methoxy-gamma-oxo-, methyl ester is C12H16N2O4.
What is the molecular weight of Benzenebutanoic acid, alpha,2-diamino-3-methoxy-gamma-oxo-, methyl ester?
The molecular weight of Benzenebutanoic acid, alpha,2-diamino-3-methoxy-gamma-oxo-, methyl ester is 252.11 g/mol.
Where can I buy Benzenebutanoic acid, alpha,2-diamino-3-methoxy-gamma-oxo-, methyl ester?
You can request a quote for Benzenebutanoic acid, alpha,2-diamino-3-methoxy-gamma-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanoic acid, alpha,2-diamino-3-methoxy-gamma-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanoic acid, alpha,2-diamino-3-methoxy-gamma-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.