7-((4-Butoxybenzyl)amino)-7-oxoheptanoic acid
TL;DR: 7-((4-Butoxybenzyl)amino)-7-oxoheptanoic acid (CAS 374698-95-0) is a chemical compound with molecular formula C18H27NO4 and molecular weight 321.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-butoxyphenyl)methylamino]-7-oxoheptanoic acid
Also Known As: 7-((4-butoxybenzyl)amino)-7-oxoheptanoic acid, 7-[(4-butoxybenzyl)amino]-7-oxoheptanoic acid, 6-[(4-butoxyphenyl)methylcarbamoyl]hexanoic Acid, 7-[(4-butoxyphenyl)methylamino]-7-oxoheptanoic acid
| Molecular Formula | C18H27NO4 |
|---|---|
| Molecular Weight | 321.19 g/mol |
| LogP | 3.5168 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 321.194 |
| Heavy Atoms | 23 |
| Complexity | 470.41486 |
Chemical Identifiers
| CAS Number | 374698-95-0 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)CNC(=O)CCCCCC(=O)O |
Product Overview
7-((4-Butoxybenzyl)amino)-7-oxoheptanoic acid (CAS 374698-95-0), with molecular formula C18H27NO4 and molecular weight 321.19 g/mol. IUPAC: 7-[(4-butoxyphenyl)methylamino]-7-oxoheptanoic acid.
Chemical Property Profile of 7-((4-Butoxybenzyl)amino)-7-oxoheptanoic acid
Property Insights of 7-((4-Butoxybenzyl)amino)-7-oxoheptanoic acid
The XLogP value of 3.5168 indicates that 7-((4-Butoxybenzyl)amino)-7-oxoheptanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-((4-Butoxybenzyl)amino)-7-oxoheptanoic acid. Following Lipinski's Rule of Five, 7-((4-Butoxybenzyl)amino)-7-oxoheptanoic acid has 2 hydrogen bond donor(s) and 3 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 7-((4-Butoxybenzyl)amino)-7-oxoheptanoic acid?
The CAS number of 7-((4-Butoxybenzyl)amino)-7-oxoheptanoic acid is 374698-95-0.
What is the molecular formula of 7-((4-Butoxybenzyl)amino)-7-oxoheptanoic acid?
The molecular formula of 7-((4-Butoxybenzyl)amino)-7-oxoheptanoic acid is C18H27NO4.
What is the molecular weight of 7-((4-Butoxybenzyl)amino)-7-oxoheptanoic acid?
The molecular weight of 7-((4-Butoxybenzyl)amino)-7-oxoheptanoic acid is 321.19 g/mol.
Where can I buy 7-((4-Butoxybenzyl)amino)-7-oxoheptanoic acid?
You can request a quote for 7-((4-Butoxybenzyl)amino)-7-oxoheptanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-((4-Butoxybenzyl)amino)-7-oxoheptanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-((4-Butoxybenzyl)amino)-7-oxoheptanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.