(S)-3-methyl-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)ureido)butanoic acid
TL;DR: (S)-3-methyl-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)ureido)butanoic acid (CAS 1041849-23-3) is a chemical compound with molecular formula C17H26N4O3 and molecular weight 334.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]butanoic acid
Also Known As: (S)-3-methyl-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)ureido)butanoic acid, 3-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]butanoic Acid, (2S)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]butanoic acid
| Molecular Formula | C17H26N4O3 |
|---|---|
| Molecular Weight | 334.20 g/mol |
| LogP | 1.6691 |
| Topological Polar Surface Area | 84.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.2005 |
| Heavy Atoms | 24 |
| Complexity | 565.7033 |
Chemical Identifiers
| CAS Number | 1041849-23-3 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C |
Product Overview
(S)-3-methyl-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)ureido)butanoic acid (CAS 1041849-23-3), with molecular formula C17H26N4O3 and molecular weight 334.20 g/mol. IUPAC: (2S)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]butanoic acid.
Chemical Property Profile of (S)-3-methyl-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)ureido)butanoic acid
Property Insights of (S)-3-methyl-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)ureido)butanoic acid
The XLogP value of 1.6691 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-methyl-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)ureido)butanoic acid. The TPSA of 84.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-methyl-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)ureido)butanoic acid. Following Lipinski's Rule of Five, (S)-3-methyl-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)ureido)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 (S)-3-methyl-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)ureido)butanoic acid?
The CAS number of (S)-3-methyl-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)ureido)butanoic acid is 1041849-23-3.
What is the molecular formula of (S)-3-methyl-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)ureido)butanoic acid?
The molecular formula of (S)-3-methyl-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)ureido)butanoic acid is C17H26N4O3.
What is the molecular weight of (S)-3-methyl-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)ureido)butanoic acid?
The molecular weight of (S)-3-methyl-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)ureido)butanoic acid is 334.20 g/mol.
Where can I buy (S)-3-methyl-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)ureido)butanoic acid?
You can request a quote for (S)-3-methyl-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)ureido)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-methyl-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)ureido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-methyl-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)ureido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.