4-(butoxycarbonyl)phenyl 2-oxo-2H-chromene-3-carboxylate
TL;DR: 4-(butoxycarbonyl)phenyl 2-oxo-2H-chromene-3-carboxylate (CAS 305375-83-1) is a chemical compound with molecular formula C21H18O6 and molecular weight 366.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butoxycarbonylphenyl) 2-oxochromene-3-carboxylate
Also Known As: 4-(butoxycarbonyl)phenyl 2-oxo-2H-chromene-3-carboxylate, (4-butoxycarbonylphenyl) 2-oxochromene-3-carboxylate, AE-641/13516276, 4-(butoxycarbonyl)phenyl 2-oxochromene-3-carboxylate
| Molecular Formula | C21H18O6 |
|---|---|
| Molecular Weight | 366.11 g/mol |
| LogP | 3.9691 |
| Topological Polar Surface Area | 82.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.11035 |
| Heavy Atoms | 27 |
| Complexity | 1016.7713 |
Chemical Identifiers
| CAS Number | 305375-83-1 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=CC=CC=C3OC2=O |
Product Overview
4-(butoxycarbonyl)phenyl 2-oxo-2H-chromene-3-carboxylate (CAS 305375-83-1), with molecular formula C21H18O6 and molecular weight 366.11 g/mol. IUPAC: (4-butoxycarbonylphenyl) 2-oxochromene-3-carboxylate.
Chemical Property Profile of 4-(butoxycarbonyl)phenyl 2-oxo-2H-chromene-3-carboxylate
Property Insights of 4-(butoxycarbonyl)phenyl 2-oxo-2H-chromene-3-carboxylate
The XLogP value of 3.9691 indicates that 4-(butoxycarbonyl)phenyl 2-oxo-2H-chromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(butoxycarbonyl)phenyl 2-oxo-2H-chromene-3-carboxylate. Following Lipinski's Rule of Five, 4-(butoxycarbonyl)phenyl 2-oxo-2H-chromene-3-carboxylate has 0 hydrogen bond donor(s) and 6 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-(butoxycarbonyl)phenyl 2-oxo-2H-chromene-3-carboxylate?
The CAS number of 4-(butoxycarbonyl)phenyl 2-oxo-2H-chromene-3-carboxylate is 305375-83-1.
What is the molecular formula of 4-(butoxycarbonyl)phenyl 2-oxo-2H-chromene-3-carboxylate?
The molecular formula of 4-(butoxycarbonyl)phenyl 2-oxo-2H-chromene-3-carboxylate is C21H18O6.
What is the molecular weight of 4-(butoxycarbonyl)phenyl 2-oxo-2H-chromene-3-carboxylate?
The molecular weight of 4-(butoxycarbonyl)phenyl 2-oxo-2H-chromene-3-carboxylate is 366.11 g/mol.
Where can I buy 4-(butoxycarbonyl)phenyl 2-oxo-2H-chromene-3-carboxylate?
You can request a quote for 4-(butoxycarbonyl)phenyl 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 4-(butoxycarbonyl)phenyl 2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(butoxycarbonyl)phenyl 2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.