5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid
TL;DR: 5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid (CAS 16849-38-0) is a chemical compound with molecular formula C18H22O5 and molecular weight 318.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-hydroxy-4-methyl-2-oxo-7-pentylchromen-3-yl)propanoic acid
Also Known As: 3-(5-hydroxy-4-methyl-2-oxo-7-pentylchromen-3-yl)propanoic acid, 2H-1-Benzopyran-3-propanoicacid, 5-hydroxy-4-methyl-2-oxo-7-pentyl-, 3-(5-hydroxy-4-methyl-2-oxo-7-pentylchromen-3-yl)propanoic a, 2H-1-Benzopyran-3-propanoicacid,5-hydroxy-4-methyl-2-oxo-7-pentyl, 3-(5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-yl)propanoic acid
| Molecular Formula | C18H22O5 |
|---|---|
| Molecular Weight | 318.15 g/mol |
| LogP | 3.55692 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.14673 |
| Heavy Atoms | 23 |
| Complexity | 773.0561 |
Chemical Identifiers
| CAS Number | 16849-38-0 |
|---|---|
| SMILES | CCCCCC1=CC(=C2C(=C(C(=O)OC2=C1)CCC(=O)O)C)O |
Product Overview
5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid (CAS 16849-38-0), with molecular formula C18H22O5 and molecular weight 318.15 g/mol. IUPAC: 3-(5-hydroxy-4-methyl-2-oxo-7-pentylchromen-3-yl)propanoic acid.
Chemical Property Profile of 5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid
Property Insights of 5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid
The XLogP value of 3.55692 indicates that 5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid. Following Lipinski's Rule of Five, 5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid has 2 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 5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid?
The CAS number of 5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid is 16849-38-0.
What is the molecular formula of 5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid?
The molecular formula of 5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid is C18H22O5.
What is the molecular weight of 5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid?
The molecular weight of 5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid is 318.15 g/mol.
Where can I buy 5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid?
You can request a quote for 5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-4-methyl-2-oxo-7-pentyl-2H-1-benzopyran-3-propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.