2-((3-(Dimethylamino)propyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid
TL;DR: 2-((3-(Dimethylamino)propyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid (CAS 1031703-76-0) is a chemical compound with molecular formula C16H25N3O3 and molecular weight 307.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(dimethylamino)propylamino]-4-(3-methylanilino)-4-oxobutanoic acid
Also Known As: 2-((3-(dimethylamino)propyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid, 2-[3-(dimethylamino)propylamino]-4-(3-methylanilino)-4-oxobutanoic acid, F1124-0054, 2-(3-dimethylaminopropylamino)-3-[(3-methylphenyl)carbamoyl]propanoic Acid
| Molecular Formula | C16H25N3O3 |
|---|---|
| Molecular Weight | 307.19 g/mol |
| LogP | 1.31812 |
| Topological Polar Surface Area | 81.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 307.1896 |
| Heavy Atoms | 22 |
| Complexity | 503.16434 |
Chemical Identifiers
| CAS Number | 1031703-76-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CC(C(=O)O)NCCCN(C)C |
Product Overview
2-((3-(Dimethylamino)propyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid (CAS 1031703-76-0), with molecular formula C16H25N3O3 and molecular weight 307.19 g/mol. IUPAC: 2-[3-(dimethylamino)propylamino]-4-(3-methylanilino)-4-oxobutanoic acid.
Chemical Property Profile of 2-((3-(Dimethylamino)propyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid
Property Insights of 2-((3-(Dimethylamino)propyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid
The XLogP value of 1.31812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-(Dimethylamino)propyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid. The TPSA of 81.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(Dimethylamino)propyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid. Following Lipinski's Rule of Five, 2-((3-(Dimethylamino)propyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid has 3 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 2-((3-(Dimethylamino)propyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid?
The CAS number of 2-((3-(Dimethylamino)propyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid is 1031703-76-0.
What is the molecular formula of 2-((3-(Dimethylamino)propyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid?
The molecular formula of 2-((3-(Dimethylamino)propyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid is C16H25N3O3.
What is the molecular weight of 2-((3-(Dimethylamino)propyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid?
The molecular weight of 2-((3-(Dimethylamino)propyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid is 307.19 g/mol.
Where can I buy 2-((3-(Dimethylamino)propyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid?
You can request a quote for 2-((3-(Dimethylamino)propyl)amino)-4-oxo-4-(m-tolylamino)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-((3-(Dimethylamino)propyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(Dimethylamino)propyl)amino)-4-oxo-4-(m-tolylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.