7-(n-Butyl)amino-4-methylcoumarin
TL;DR: 7-(n-Butyl)amino-4-methylcoumarin (CAS 7509-67-3) is a chemical compound with molecular formula C14H17NO2 and molecular weight 231.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(butylamino)-4-methylchromen-2-one
Also Known As: 7-(n-Butyl)amino-4-methylcoumarin, 7-(butylamino)-4-methylchromen-2-one, 7-(Butylamino)-4-methyl-2H-chromen-2-one, 7-(Butylamino)-4-methyl-2H-1-benzopyran-2-one
| Molecular Formula | C14H17NO2 |
|---|---|
| Molecular Weight | 231.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.12593 |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 7509-67-3 |
|---|---|
| SMILES | CCCCNC1=CC2=C(C=C1)C(=CC(=O)O2)C |
| InChIKey | NDLFZLPQECAGEP-UHFFFAOYSA-N |
Product Overview
7-(n-Butyl)amino-4-methylcoumarin (CAS 7509-67-3), with molecular formula C14H17NO2 and molecular weight 231.13 g/mol. IUPAC: 7-(butylamino)-4-methylchromen-2-one.
Chemical Property Profile of 7-(n-Butyl)amino-4-methylcoumarin
Property Insights of 7-(n-Butyl)amino-4-methylcoumarin
The XLogP value of 3.5 indicates that 7-(n-Butyl)amino-4-methylcoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 7-(n-Butyl)amino-4-methylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(n-Butyl)amino-4-methylcoumarin has 1 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-(n-Butyl)amino-4-methylcoumarin?
The CAS number of 7-(n-Butyl)amino-4-methylcoumarin is 7509-67-3.
What is the molecular formula of 7-(n-Butyl)amino-4-methylcoumarin?
The molecular formula of 7-(n-Butyl)amino-4-methylcoumarin is C14H17NO2.
What is the molecular weight of 7-(n-Butyl)amino-4-methylcoumarin?
The molecular weight of 7-(n-Butyl)amino-4-methylcoumarin is 231.13 g/mol.
Where can I buy 7-(n-Butyl)amino-4-methylcoumarin?
You can request a quote for 7-(n-Butyl)amino-4-methylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(n-Butyl)amino-4-methylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-(n-Butyl)amino-4-methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.