2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone
TL;DR: 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone (CAS 15485-76-4) is a chemical compound with molecular formula C19H16O7 and molecular weight 356.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxochromene-2-carboxylate
Also Known As: Ethoxybiochanin A, PROBARBITAL, 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone, EINECS 239-511-0, Ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate
| Molecular Formula | C19H16O7 |
|---|---|
| Molecular Weight | 356.09 g/mol |
| LogP | 3.0565 |
| Topological Polar Surface Area | 106.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.0896 |
| Heavy Atoms | 26 |
| Complexity | 1032.4224 |
Chemical Identifiers
| CAS Number | 15485-76-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC=C(C=C3)OC |
Product Overview
2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone (CAS 15485-76-4), with molecular formula C19H16O7 and molecular weight 356.09 g/mol. IUPAC: ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxochromene-2-carboxylate.
Chemical Property Profile of 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone
Property Insights of 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone
The XLogP value of 3.0565 indicates that 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone. Following Lipinski's Rule of Five, 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone has 2 hydrogen bond donor(s) and 7 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-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone?
The CAS number of 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone is 15485-76-4.
What is the molecular formula of 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone?
The molecular formula of 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone is C19H16O7.
What is the molecular weight of 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone?
The molecular weight of 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone is 356.09 g/mol.
Where can I buy 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone?
You can request a quote for 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone?
Yes, KEHONG BIO provides custom synthesis services for 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.