Pachyrrhizin
TL;DR: Pachyrrhizin (CAS 10091-01-7) is a chemical compound with molecular formula C19H12O6 and molecular weight 336.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(6-methoxy-1,3-benzodioxol-5-yl)furo[3,2-g]chromen-7-one
Also Known As: Pachyrrhizin, Neorautone, pachyrrhizine, Pachyrhizin, pachyrrizine
| Molecular Formula | C19H12O6 |
|---|---|
| Molecular Weight | 336.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.0634 |
| Heavy Atoms | 25 |
| Complexity | 574.0 |
| Melting Point | 207 - 209 °C |
Chemical Identifiers
| CAS Number | 10091-01-7 |
|---|---|
| SMILES | COC1=CC2=C(C=C1C3=CC4=C(C=C5C(=C4)C=CO5)OC3=O)OCO2 |
| InChIKey | PENSQRMNZZWMGV-UHFFFAOYSA-N |
Product Overview
Pachyrrhizin (CAS 10091-01-7), with molecular formula C19H12O6 and molecular weight 336.06 g/mol. IUPAC: 6-(6-methoxy-1,3-benzodioxol-5-yl)furo[3,2-g]chromen-7-one.
Chemical Property Profile of Pachyrrhizin
Property Insights of Pachyrrhizin
The XLogP value of 3.7 indicates that Pachyrrhizin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Pachyrrhizin. Following Lipinski's Rule of Five, Pachyrrhizin 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 Pachyrrhizin?
The CAS number of Pachyrrhizin is 10091-01-7.
What is the molecular formula of Pachyrrhizin?
The molecular formula of Pachyrrhizin is C19H12O6.
What is the molecular weight of Pachyrrhizin?
The molecular weight of Pachyrrhizin is 336.06 g/mol.
Where can I buy Pachyrrhizin?
You can request a quote for Pachyrrhizin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pachyrrhizin?
Yes, KEHONG BIO provides custom synthesis services for Pachyrrhizin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.