4'-Methylrecordil
TL;DR: 4'-Methylrecordil (CAS 78298-71-2) is a chemical compound with molecular formula C20H18O5 and molecular weight 338.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(4-methylphenyl)-4-oxochromen-7-yl]oxyacetate
Also Known As: 4'-Methylrecordil, ethyl 2-[2-(4-methylphenyl)-4-oxochromen-7-yl]oxyacetate, Acetic acid, ((2-(4-methylphenyl)-4-oxo-4H-1-benzopyran-7-yl)oxy)-, ethyl ester, Ethyl {[2-(4-methylphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate, Acetic acid,2-[[2-(4-methylphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]-, ethyl ester
| Molecular Formula | C20H18O5 |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.11542 |
| Heavy Atoms | 25 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 78298-71-2 |
|---|---|
| SMILES | CCOC(=O)COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=C(C=C3)C |
| InChIKey | NRJYFLATWOKPSV-UHFFFAOYSA-N |
Product Overview
4'-Methylrecordil (CAS 78298-71-2), with molecular formula C20H18O5 and molecular weight 338.12 g/mol. IUPAC: ethyl 2-[2-(4-methylphenyl)-4-oxochromen-7-yl]oxyacetate.
Chemical Property Profile of 4'-Methylrecordil
Property Insights of 4'-Methylrecordil
The XLogP value of 4.6 indicates that 4'-Methylrecordil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Methylrecordil. Following Lipinski's Rule of Five, 4'-Methylrecordil has 0 hydrogen bond donor(s) and 5 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'-Methylrecordil?
The CAS number of 4'-Methylrecordil is 78298-71-2.
What is the molecular formula of 4'-Methylrecordil?
The molecular formula of 4'-Methylrecordil is C20H18O5.
What is the molecular weight of 4'-Methylrecordil?
The molecular weight of 4'-Methylrecordil is 338.12 g/mol.
Where can I buy 4'-Methylrecordil?
You can request a quote for 4'-Methylrecordil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Methylrecordil?
Yes, KEHONG BIO provides custom synthesis services for 4'-Methylrecordil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.