2-Amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)butanoic acid
TL;DR: 2-Amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)butanoic acid (CAS 70412-91-8) is a chemical compound with molecular formula C20H23NO8 and molecular weight 405.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]butanoic acid
Also Known As: 2-Amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)butanoic acid, Butanoic acid, 2-amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-, 2-amino-4-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]butanoic acid, O-{3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl}homoserine
| Molecular Formula | C20H23NO8 |
|---|---|
| Molecular Weight | 405.14 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 405.14236 |
| Heavy Atoms | 29 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 70412-91-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)OCCC(C(=O)O)N)O)O |
| InChIKey | KNAZGTPISIKSHU-UHFFFAOYSA-N |
Product Overview
2-Amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)butanoic acid (CAS 70412-91-8), with molecular formula C20H23NO8 and molecular weight 405.14 g/mol. IUPAC: 2-amino-4-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]butanoic acid.
Chemical Property Profile of 2-Amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)butanoic acid
Property Insights of 2-Amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)butanoic acid
The XLogP value of -0.3 indicates that 2-Amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 160.0 Ų indicates high polarity, suggesting 2-Amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)butanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)butanoic acid has 5 hydrogen bond donor(s) and 9 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 2-Amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)butanoic acid?
The CAS number of 2-Amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)butanoic acid is 70412-91-8.
What is the molecular formula of 2-Amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)butanoic acid?
The molecular formula of 2-Amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)butanoic acid is C20H23NO8.
What is the molecular weight of 2-Amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)butanoic acid?
The molecular weight of 2-Amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)butanoic acid is 405.14 g/mol.
Where can I buy 2-Amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)butanoic acid?
You can request a quote for 2-Amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.