![5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid structure](/static/products/5446/544697-59-8.webp)
5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid
TL;DR: 5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid (CAS 544697-59-8) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methylphenyl)methylamino]-5-oxopentanoic acid
Also Known As: 5-[(4-methylbenzyl)amino]-5-oxopentanoic acid, 5-((4-methylbenzyl)amino)-5-oxopentanoic acid, 5-[(4-methylphenyl)methylamino]-5-oxopentanoic acid, 4-{[(4-methylphenyl)methyl]carbamoyl}butanoic acid, 4-{N-[(4-methylphenyl)methyl]carbamoyl}butanoic acid
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 1.86612 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 384.15598 |
Chemical Identifiers
| CAS Number | 544697-59-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)CCCC(=O)O |
Product Overview
5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid (CAS 544697-59-8), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: 5-[(4-methylphenyl)methylamino]-5-oxopentanoic acid.
Chemical Property Profile of 5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid
Property Insights of 5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid
The XLogP value of 1.86612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid. Following Lipinski's Rule of Five, 5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid has 2 hydrogen bond donor(s) and 2 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 5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid?
The CAS number of 5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid is 544697-59-8.
What is the molecular formula of 5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid?
The molecular formula of 5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid is C13H17NO3.
What is the molecular weight of 5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid?
The molecular weight of 5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid is 235.12 g/mol.
Where can I buy 5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid?
You can request a quote for 5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.