5-Isoxazolepropanoic acid, 3-((1S)-1-(((3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)-
TL;DR: 5-Isoxazolepropanoic acid, 3-((1S)-1-(((3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)- (CAS 379692-00-9) is a chemical compound with molecular formula C28H34N4O6 and molecular weight 522.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(1S)-1-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-3-methylbutyl]-1,2-oxazol-5-yl]propanoic acid
Also Known As: 5-Isoxazolepropanoic acid, 3-((1S)-1-(((3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)-, J1.607.096C, 5-Isoxazolepropanoic acid, 3-((1S)-1-((2-(3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)-, 3-[3-[(1S)-1-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-3-methylbutyl]-1,2-oxazol-5-yl]propanoic acid, (S)-3-(3-(1-(2-(3-Methoxy-4-(3-(o-tolyl)ureido)phenyl)acetamido)-3-methylbutyl)isoxazol-5-yl)propanoic acid
| Molecular Formula | C28H34N4O6 |
|---|---|
| Molecular Weight | 522.25 g/mol |
| LogP | 5.09892 |
| Topological Polar Surface Area | 142.79 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 522.24786 |
| Heavy Atoms | 38 |
| Complexity | 1269.7347 |
Chemical Identifiers
| CAS Number | 379692-00-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)N[C@@H](CC(C)C)C3=NOC(=C3)CCC(=O)O)OC |
Product Overview
5-Isoxazolepropanoic acid, 3-((1S)-1-(((3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)- (CAS 379692-00-9), with molecular formula C28H34N4O6 and molecular weight 522.25 g/mol. IUPAC: 3-[3-[(1S)-1-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-3-methylbutyl]-1,2-oxazol-5-yl]propanoic acid.
Chemical Property Profile of 5-Isoxazolepropanoic acid, 3-((1S)-1-(((3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)-
Property Insights of 5-Isoxazolepropanoic acid, 3-((1S)-1-(((3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)-
The XLogP value of 5.09892 indicates that 5-Isoxazolepropanoic acid, 3-((1S)-1-(((3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.79 Ų indicates high polarity, suggesting 5-Isoxazolepropanoic acid, 3-((1S)-1-(((3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Isoxazolepropanoic acid, 3-((1S)-1-(((3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)- has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Isoxazolepropanoic acid, 3-((1S)-1-(((3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)-?
The CAS number of 5-Isoxazolepropanoic acid, 3-((1S)-1-(((3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)- is 379692-00-9.
What is the molecular formula of 5-Isoxazolepropanoic acid, 3-((1S)-1-(((3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)-?
The molecular formula of 5-Isoxazolepropanoic acid, 3-((1S)-1-(((3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)- is C28H34N4O6.
What is the molecular weight of 5-Isoxazolepropanoic acid, 3-((1S)-1-(((3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)-?
The molecular weight of 5-Isoxazolepropanoic acid, 3-((1S)-1-(((3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)- is 522.25 g/mol.
Where can I buy 5-Isoxazolepropanoic acid, 3-((1S)-1-(((3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)-?
You can request a quote for 5-Isoxazolepropanoic acid, 3-((1S)-1-(((3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isoxazolepropanoic acid, 3-((1S)-1-(((3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Isoxazolepropanoic acid, 3-((1S)-1-(((3-methoxy-4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)amino)-3-methylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.