3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate
TL;DR: 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate (CAS 69306-85-0) is a chemical compound with molecular formula C21H20O8 and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl] butanoate
Also Known As: EINECS 273-964-5, Herbacetin 7,4'-dimethyl ether 8-butyrate, 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate, 3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl butanoate, FLAVONE,5-DIHYDROXY-7,4'DIMETHOXY-8-BUTYRLYOXY
| Molecular Formula | C21H20O8 |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 3.5939 |
| Topological Polar Surface Area | 115.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.1158 |
| Heavy Atoms | 29 |
| Complexity | 1112.4597 |
Chemical Identifiers
| CAS Number | 69306-85-0 |
|---|---|
| SMILES | CCCC(=O)OC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)OC)O)OC |
Product Overview
3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate (CAS 69306-85-0), with molecular formula C21H20O8 and molecular weight 400.12 g/mol. IUPAC: [3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl] butanoate.
Chemical Property Profile of 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate
Property Insights of 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate
The XLogP value of 3.5939 indicates that 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate. Following Lipinski's Rule of Five, 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate has 2 hydrogen bond donor(s) and 8 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 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate?
The CAS number of 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate is 69306-85-0.
What is the molecular formula of 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate?
The molecular formula of 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate is C21H20O8.
What is the molecular weight of 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate?
The molecular weight of 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate is 400.12 g/mol.
Where can I buy 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate?
You can request a quote for 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.