3-Amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid
TL;DR: 3-Amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid (CAS 554402-59-4) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid
Also Known As: 3-amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid, ZERO/001616, 3-Amino-3-(4-isopropoxy-3-methoxyphenyl)-propanoic acid, 3-amino-3-[3-methoxy-4-(propan-2-yloxy)phenyl]propanoic acid, 3-amino-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid
| Molecular Formula | C13H19NO4 |
|---|---|
| Molecular Weight | 253.13 g/mol |
| LogP | 1.9569 |
| Topological Polar Surface Area | 81.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.13141 |
| Heavy Atoms | 18 |
| Complexity | 417.4523 |
Chemical Identifiers
| CAS Number | 554402-59-4 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)C(CC(=O)O)N)OC |
Product Overview
3-Amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid (CAS 554402-59-4), with molecular formula C13H19NO4 and molecular weight 253.13 g/mol. IUPAC: 3-amino-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid.
Chemical Property Profile of 3-Amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid
Property Insights of 3-Amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid
The XLogP value of 1.9569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid. The TPSA of 81.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid. Following Lipinski's Rule of Five, 3-Amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid has 2 hydrogen bond donor(s) and 4 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 3-Amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid?
The CAS number of 3-Amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid is 554402-59-4.
What is the molecular formula of 3-Amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid?
The molecular formula of 3-Amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid is C13H19NO4.
What is the molecular weight of 3-Amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid?
The molecular weight of 3-Amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid is 253.13 g/mol.
Where can I buy 3-Amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid?
You can request a quote for 3-Amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.