Bursehernin
TL;DR: Bursehernin (CAS 40456-51-7) is a chemical compound with molecular formula C21H22O6 and molecular weight 370.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
Also Known As: Bursehernin, (-)-bursehernin, Methylpluviatolide, 5'-Desmethoxyyatein, trans-Methylpluviatolide
| Molecular Formula | C21H22O6 |
|---|---|
| Molecular Weight | 370.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.14163 |
| Heavy Atoms | 27 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 40456-51-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C[C@@H]2[C@H](COC2=O)CC3=CC4=C(C=C3)OCO4)OC |
| InChIKey | IYBDDRJHJMFFBB-JKSUJKDBSA-N |
Product Overview
Bursehernin (CAS 40456-51-7), with molecular formula C21H22O6 and molecular weight 370.14 g/mol. IUPAC: (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one.
Chemical Property Profile of Bursehernin
Property Insights of Bursehernin
The XLogP value of 3.8 indicates that Bursehernin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Bursehernin. Following Lipinski's Rule of Five, Bursehernin has 0 hydrogen bond donor(s) and 6 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 Bursehernin?
The CAS number of Bursehernin is 40456-51-7.
What is the molecular formula of Bursehernin?
The molecular formula of Bursehernin is C21H22O6.
What is the molecular weight of Bursehernin?
The molecular weight of Bursehernin is 370.14 g/mol.
Where can I buy Bursehernin?
You can request a quote for Bursehernin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bursehernin?
Yes, KEHONG BIO provides custom synthesis services for Bursehernin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.