2,3,6-trimethylphenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate
TL;DR: 2,3,6-trimethylphenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate (CAS 873857-31-9) 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.
(2,3,6-trimethylphenyl) 8-methoxy-2-oxochromene-3-carboxylate
Also Known As: 2,3,6-trimethylphenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate, VU0610332-1, F3318-0159, 2,3,6-trimethylphenyl 8-methoxy-3-coumarincarboxylate, (2,3,6-trimethylphenyl) 8-methoxy-2-oxochromene-3-carboxylate
| Molecular Formula | C20H18O5 |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 3.94606 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.11542 |
| Heavy Atoms | 25 |
| Complexity | 1030.1714 |
Chemical Identifiers
| CAS Number | 873857-31-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C)OC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O)C |
Product Overview
2,3,6-trimethylphenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate (CAS 873857-31-9), with molecular formula C20H18O5 and molecular weight 338.12 g/mol. IUPAC: (2,3,6-trimethylphenyl) 8-methoxy-2-oxochromene-3-carboxylate.
Chemical Property Profile of 2,3,6-trimethylphenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate
Property Insights of 2,3,6-trimethylphenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate
The XLogP value of 3.94606 indicates that 2,3,6-trimethylphenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,6-trimethylphenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate. Following Lipinski's Rule of Five, 2,3,6-trimethylphenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate 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 2,3,6-trimethylphenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate?
The CAS number of 2,3,6-trimethylphenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate is 873857-31-9.
What is the molecular formula of 2,3,6-trimethylphenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate?
The molecular formula of 2,3,6-trimethylphenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate is C20H18O5.
What is the molecular weight of 2,3,6-trimethylphenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate?
The molecular weight of 2,3,6-trimethylphenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate is 338.12 g/mol.
Where can I buy 2,3,6-trimethylphenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate?
You can request a quote for 2,3,6-trimethylphenyl 8-methoxy-2-oxo-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 2,3,6-trimethylphenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-trimethylphenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.