ethyl 8-methoxy-2H-chromene-3-carboxylate
TL;DR: ethyl 8-methoxy-2H-chromene-3-carboxylate (CAS 112904-72-0) is a chemical compound with molecular formula C13H14O4 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 8-methoxy-2H-chromene-3-carboxylate
Also Known As: ethyl 8-methoxy-2H-chromene-3-carboxylate, 4G-361S, ethyl8-methoxy-2H-chromene-3-carboxylate, 2H-1-Benzopyran-3-carboxylic acid, 8-methoxy-, ethyl ester, Ethyl 8-methoxy-2H-1-benzopyran-3-carboxylate
| Molecular Formula | C13H14O4 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.0892 |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 112904-72-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C(=CC=C2)OC)OC1 |
| InChIKey | VWTWCCNXBMDVNS-UHFFFAOYSA-N |
Product Overview
ethyl 8-methoxy-2H-chromene-3-carboxylate (CAS 112904-72-0), with molecular formula C13H14O4 and molecular weight 234.09 g/mol. IUPAC: ethyl 8-methoxy-2H-chromene-3-carboxylate.
Chemical Property Profile of ethyl 8-methoxy-2H-chromene-3-carboxylate
Property Insights of ethyl 8-methoxy-2H-chromene-3-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 8-methoxy-2H-chromene-3-carboxylate. With a topological polar surface area (TPSA) of 44.8 Ų, ethyl 8-methoxy-2H-chromene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 8-methoxy-2H-chromene-3-carboxylate 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 ethyl 8-methoxy-2H-chromene-3-carboxylate?
The CAS number of ethyl 8-methoxy-2H-chromene-3-carboxylate is 112904-72-0.
What is the molecular formula of ethyl 8-methoxy-2H-chromene-3-carboxylate?
The molecular formula of ethyl 8-methoxy-2H-chromene-3-carboxylate is C13H14O4.
What is the molecular weight of ethyl 8-methoxy-2H-chromene-3-carboxylate?
The molecular weight of ethyl 8-methoxy-2H-chromene-3-carboxylate is 234.09 g/mol.
Where can I buy ethyl 8-methoxy-2H-chromene-3-carboxylate?
You can request a quote for ethyl 8-methoxy-2H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 8-methoxy-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 8-methoxy-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.