4-acetyl-2-methoxyphenyl 8-allyl-2-oxo-2H-chromene-3-carboxylate
TL;DR: 4-acetyl-2-methoxyphenyl 8-allyl-2-oxo-2H-chromene-3-carboxylate (CAS 836663-13-9) is a chemical compound with molecular formula C22H18O6 and molecular weight 378.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyl-2-methoxyphenyl) 2-oxo-8-prop-2-enylchromene-3-carboxylate
Also Known As: 4-acetyl-2-methoxyphenyl 8-allyl-2-oxo-2H-chromene-3-carboxylate, 4-acetyl-2-methoxyphenyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxylate, F1761-0013, (4-acetyl-2-methoxyphenyl) 2-oxo-8-prop-2-enylchromene-3-carboxylate, 4-acetyl-2-methoxyphenyl 2-oxo-8-prop-2-enylchromene-3-carboxylate
| Molecular Formula | C22H18O6 |
|---|---|
| Molecular Weight | 378.11 g/mol |
| LogP | 3.9519 |
| Topological Polar Surface Area | 82.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.11035 |
| Heavy Atoms | 28 |
| Complexity | 1139.4624 |
Chemical Identifiers
| CAS Number | 836663-13-9 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC3=C(C(=CC=C3)CC=C)OC2=O)OC |
Product Overview
4-acetyl-2-methoxyphenyl 8-allyl-2-oxo-2H-chromene-3-carboxylate (CAS 836663-13-9), with molecular formula C22H18O6 and molecular weight 378.11 g/mol. IUPAC: (4-acetyl-2-methoxyphenyl) 2-oxo-8-prop-2-enylchromene-3-carboxylate.
Chemical Property Profile of 4-acetyl-2-methoxyphenyl 8-allyl-2-oxo-2H-chromene-3-carboxylate
Property Insights of 4-acetyl-2-methoxyphenyl 8-allyl-2-oxo-2H-chromene-3-carboxylate
The XLogP value of 3.9519 indicates that 4-acetyl-2-methoxyphenyl 8-allyl-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-acetyl-2-methoxyphenyl 8-allyl-2-oxo-2H-chromene-3-carboxylate. Following Lipinski's Rule of Five, 4-acetyl-2-methoxyphenyl 8-allyl-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-acetyl-2-methoxyphenyl 8-allyl-2-oxo-2H-chromene-3-carboxylate?
The CAS number of 4-acetyl-2-methoxyphenyl 8-allyl-2-oxo-2H-chromene-3-carboxylate is 836663-13-9.
What is the molecular formula of 4-acetyl-2-methoxyphenyl 8-allyl-2-oxo-2H-chromene-3-carboxylate?
The molecular formula of 4-acetyl-2-methoxyphenyl 8-allyl-2-oxo-2H-chromene-3-carboxylate is C22H18O6.
What is the molecular weight of 4-acetyl-2-methoxyphenyl 8-allyl-2-oxo-2H-chromene-3-carboxylate?
The molecular weight of 4-acetyl-2-methoxyphenyl 8-allyl-2-oxo-2H-chromene-3-carboxylate is 378.11 g/mol.
Where can I buy 4-acetyl-2-methoxyphenyl 8-allyl-2-oxo-2H-chromene-3-carboxylate?
You can request a quote for 4-acetyl-2-methoxyphenyl 8-allyl-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-acetyl-2-methoxyphenyl 8-allyl-2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-acetyl-2-methoxyphenyl 8-allyl-2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.