Rubropunctatin
TL;DR: Rubropunctatin (CAS 514-67-0) is a chemical compound with molecular formula C21H22O5 and molecular weight 354.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]furo[3,2-g]isochromene-2,9-dione
Also Known As: Rubropunctatin, Rubropunctatine, Rubropuncatatin, ESTRIOL SUCCINATE, HY-N7766
| Molecular Formula | C21H22O5 |
|---|---|
| Molecular Weight | 354.15 g/mol |
| LogP | 3.6311 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.14673 |
| Heavy Atoms | 26 |
| Complexity | 834.46277 |
Chemical Identifiers
| CAS Number | 514-67-0 |
|---|---|
| SMILES | CCCCCC(=O)C1=C2C=C3C=C(OC=C3C(=O)[C@@]2(OC1=O)C)/C=C/C |
Product Overview
Rubropunctatin (CAS 514-67-0), with molecular formula C21H22O5 and molecular weight 354.15 g/mol. IUPAC: (9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]furo[3,2-g]isochromene-2,9-dione.
Chemical Property Profile of Rubropunctatin
Property Insights of Rubropunctatin
The XLogP value of 3.6311 indicates that Rubropunctatin 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 Rubropunctatin. Following Lipinski's Rule of Five, Rubropunctatin 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 Rubropunctatin?
The CAS number of Rubropunctatin is 514-67-0.
What is the molecular formula of Rubropunctatin?
The molecular formula of Rubropunctatin is C21H22O5.
What is the molecular weight of Rubropunctatin?
The molecular weight of Rubropunctatin is 354.15 g/mol.
Where can I buy Rubropunctatin?
You can request a quote for Rubropunctatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rubropunctatin?
Yes, KEHONG BIO provides custom synthesis services for Rubropunctatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.