4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester
TL;DR: 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester (CAS 6345-73-9) is a chemical compound with molecular formula C19H16O5 and molecular weight 324.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-7-phenylmethoxychromene-2-carboxylate
Also Known As: Maybridge4_003233, ethyl 7-(benzyloxy)-4-oxo-4h-chromene-2-carboxylate, ethyl 4-oxo-7-phenylmethoxychromene-2-carboxylate, 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester, 4-18-00-06340 (Beilstein Handbook Reference)
| Molecular Formula | C19H16O5 |
|---|---|
| Molecular Weight | 324.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.09976 |
| Heavy Atoms | 24 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 6345-73-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C2=C(O1)C=C(C=C2)OCC3=CC=CC=C3 |
| InChIKey | PSQHTAURXSIPJF-UHFFFAOYSA-N |
Product Overview
4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester (CAS 6345-73-9), with molecular formula C19H16O5 and molecular weight 324.10 g/mol. IUPAC: ethyl 4-oxo-7-phenylmethoxychromene-2-carboxylate.
Chemical Property Profile of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester
Property Insights of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester
The XLogP value of 3.4 indicates that 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester 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 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester. Following Lipinski's Rule of Five, 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester 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 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester?
The CAS number of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester is 6345-73-9.
What is the molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester?
The molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester is C19H16O5.
What is the molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester?
The molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester is 324.10 g/mol.
Where can I buy 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester?
You can request a quote for 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.