4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one
TL;DR: 4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one (CAS 577789-75-4) is a chemical compound with molecular formula C19H25NO3 and molecular weight 315.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-5-hydroxy-7-methyl-6-(pyrrolidin-1-ylmethyl)chromen-2-one
Also Known As: 4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one, 4-butyl-5-hydroxy-7-methyl-6-(pyrrolidin-1-ylmethyl)chromen-2-one, 4-butyl-5-hydroxy-7-methyl-6-(pyrrolidinomethyl)coumarin, 4-butyl-7-methyl-5-oxidanyl-6-(pyrrolidin-1-ylmethyl)chromen-2-one, 4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-1-benzopyran-2-one
| Molecular Formula | C19H25NO3 |
|---|---|
| Molecular Weight | 315.18 g/mol |
| LogP | 3.74542 |
| Topological Polar Surface Area | 53.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.18344 |
| Heavy Atoms | 23 |
| Complexity | 757.2793 |
Chemical Identifiers
| CAS Number | 577789-75-4 |
|---|---|
| SMILES | CCCCC1=CC(=O)OC2=C1C(=C(C(=C2)C)CN3CCCC3)O |
Product Overview
4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one (CAS 577789-75-4), with molecular formula C19H25NO3 and molecular weight 315.18 g/mol. IUPAC: 4-butyl-5-hydroxy-7-methyl-6-(pyrrolidin-1-ylmethyl)chromen-2-one.
Chemical Property Profile of 4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one
Property Insights of 4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one
The XLogP value of 3.74542 indicates that 4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.68 Ų, 4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one has 1 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 4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one?
The CAS number of 4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one is 577789-75-4.
What is the molecular formula of 4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one?
The molecular formula of 4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one is C19H25NO3.
What is the molecular weight of 4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one?
The molecular weight of 4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one is 315.18 g/mol.
Where can I buy 4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one?
You can request a quote for 4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-butyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.