4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester
TL;DR: 4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester (CAS 77037-46-8) is a chemical compound with molecular formula C18H14O4 and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-2-phenylchromene-3-carboxylate
Also Known As: ethyl 4-oxo-2-phenylchromene-3-carboxylate, J3.540.812F, 4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester, ethyl 4-oxo-2-phenyl-4H-chromene-3-carboxylate, Ethyl 4-oxo-2-phenyl-4H-1-benzopyran-3-carboxylate
| Molecular Formula | C18H14O4 |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 3.6367 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.0892 |
| Heavy Atoms | 22 |
| Complexity | 878.4778 |
Chemical Identifiers
| CAS Number | 77037-46-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3 |
Product Overview
4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester (CAS 77037-46-8), with molecular formula C18H14O4 and molecular weight 294.09 g/mol. IUPAC: ethyl 4-oxo-2-phenylchromene-3-carboxylate.
Chemical Property Profile of 4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester
Property Insights of 4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester
The XLogP value of 3.6367 indicates that 4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester has 0 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 4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester?
The CAS number of 4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester is 77037-46-8.
What is the molecular formula of 4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester?
The molecular formula of 4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester is C18H14O4.
What is the molecular weight of 4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester?
The molecular weight of 4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester is 294.09 g/mol.
Where can I buy 4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester?
You can request a quote for 4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, 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-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.