Chrysodine
TL;DR: Chrysodine (CAS 52329-26-7) is a chemical compound with molecular formula C19H18O5 and molecular weight 326.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxoisochromen-7-yl] acetate
Also Known As: Chrysodine, Chrysodin[benzopyran], [3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxoisochromen-7-yl] acetate, 6H-2-Benzopyran-6,8(7H)-dione, 7-(acetyloxy)-3-(1,3,5-heptatrienyl)-7-methyl-, (E,E,E)-(-)-, (3-((1E,3E,5E)-hepta-1,3,5-trienyl)-7-methyl-6,8-dioxoisochromen-7-yl) acetate
| Molecular Formula | C19H18O5 |
|---|---|
| Molecular Weight | 326.12 g/mol |
| LogP | 2.8729 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.11542 |
| Heavy Atoms | 24 |
| Complexity | 758.62665 |
Chemical Identifiers
| CAS Number | 52329-26-7 |
|---|---|
| SMILES | C/C=C/C=C/C=C/C1=CC2=CC(=O)C(C(=O)C2=CO1)(C)OC(=O)C |
Product Overview
Chrysodine (CAS 52329-26-7), with molecular formula C19H18O5 and molecular weight 326.12 g/mol. IUPAC: [3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxoisochromen-7-yl] acetate.
Chemical Property Profile of Chrysodine
Property Insights of Chrysodine
The XLogP value of 2.8729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chrysodine. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Chrysodine. Following Lipinski's Rule of Five, Chrysodine 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 Chrysodine?
The CAS number of Chrysodine is 52329-26-7.
What is the molecular formula of Chrysodine?
The molecular formula of Chrysodine is C19H18O5.
What is the molecular weight of Chrysodine?
The molecular weight of Chrysodine is 326.12 g/mol.
Where can I buy Chrysodine?
You can request a quote for Chrysodine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chrysodine?
Yes, KEHONG BIO provides custom synthesis services for Chrysodine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.