Rubrorotiorin
TL;DR: Rubrorotiorin (CAS 28763-04-4) is a chemical compound with molecular formula C23H23ClO5 and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-acetyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methylfuro[2,3-h]isochromene-6,8-dione
Also Known As: Rubrorotiorin, 6H-Furo(2,3-h)-2-benzopyran-6,8(6aH)-dione, 9-acetyl-5-chloro-3-(1E,3E,5S)-3,5-dimethyl-1,3-heptadienyl)-6a-methyl-, (6aS), 9-acetyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methylfuro[2,3-h]isochromene-6,8-dione
| Molecular Formula | C23H23ClO5 |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 4.6097 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.1234 |
| Heavy Atoms | 29 |
| Complexity | 1002.2856 |
Chemical Identifiers
| CAS Number | 28763-04-4 |
|---|---|
| SMILES | CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(C(=O)C3(C(=C(C(=O)O3)C(=O)C)C2=CO1)C)Cl |
Product Overview
Rubrorotiorin (CAS 28763-04-4), with molecular formula C23H23ClO5 and molecular weight 414.12 g/mol. IUPAC: 9-acetyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methylfuro[2,3-h]isochromene-6,8-dione.
Chemical Property Profile of Rubrorotiorin
Property Insights of Rubrorotiorin
The XLogP value of 4.6097 indicates that Rubrorotiorin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Rubrorotiorin. Following Lipinski's Rule of Five, Rubrorotiorin 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 Rubrorotiorin?
The CAS number of Rubrorotiorin is 28763-04-4.
What is the molecular formula of Rubrorotiorin?
The molecular formula of Rubrorotiorin is C23H23ClO5.
What is the molecular weight of Rubrorotiorin?
The molecular weight of Rubrorotiorin is 414.12 g/mol.
Where can I buy Rubrorotiorin?
You can request a quote for Rubrorotiorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rubrorotiorin?
Yes, KEHONG BIO provides custom synthesis services for Rubrorotiorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.