Polygamain
TL;DR: Polygamain (CAS 71640-49-8) is a chemical compound with molecular formula C20H16O6 and molecular weight 352.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,5aR,8aR)-5-(1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Also Known As: Polygamain, J2.188.841I, (5R,5aR,8aR)-5-(1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one, Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5-(1,3-benzodioxol-5-yl)-5,8,8a,9-tetrahydro-, (5R,5aR,8aR)-, (10R,11R,15R)-10-(2H-1,3-benzodioxol-5-yl)-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-12-one
| Molecular Formula | C20H16O6 |
|---|---|
| Molecular Weight | 352.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.0947 |
| Heavy Atoms | 26 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 71640-49-8 |
|---|---|
| SMILES | C1[C@H]2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C31)OCO4)C5=CC6=C(C=C5)OCO6 |
| InChIKey | SCTKDFCQZSBHEE-RQUSPXKASA-N |
Product Overview
Polygamain (CAS 71640-49-8), with molecular formula C20H16O6 and molecular weight 352.09 g/mol. IUPAC: (5R,5aR,8aR)-5-(1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one.
Chemical Property Profile of Polygamain
Property Insights of Polygamain
The XLogP value of 3.2 indicates that Polygamain 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 Polygamain. Following Lipinski's Rule of Five, Polygamain 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 Polygamain?
The CAS number of Polygamain is 71640-49-8.
What is the molecular formula of Polygamain?
The molecular formula of Polygamain is C20H16O6.
What is the molecular weight of Polygamain?
The molecular weight of Polygamain is 352.09 g/mol.
Where can I buy Polygamain?
You can request a quote for Polygamain directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Polygamain?
Yes, KEHONG BIO provides custom synthesis services for Polygamain and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.