Polygamatin
TL;DR: Polygamatin (CAS 71640-48-7) is a chemical compound with molecular formula C21H20O6 and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4R,9aR)-4-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one
Also Known As: Polygamatin, Naphtho(2,3-c)furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-3a,4,9,9a-tetrahydro-7,8-dimethoxy-, (3aR,9R,9aR)-, (3aR,4R,9aR)-4-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one, (3aR,4R,9aR)-4-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-3a,4,9,9a-tetrahydro-1H-benzo(f)(2)benzofuran-3-one, (3aR,9R,9aR)-9-(2H-1,3-Benzodioxol-5-yl)-7,8-dimethoxy-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one
| Molecular Formula | C21H20O6 |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.12598 |
| Heavy Atoms | 27 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 71640-48-7 |
|---|---|
| SMILES | COC1=C(C2=C(C[C@H]3COC(=O)[C@@H]3[C@@H]2C4=CC5=C(C=C4)OCO5)C=C1)OC |
| InChIKey | HGOULPVLENVPRT-IRWQIABSSA-N |
Product Overview
Polygamatin (CAS 71640-48-7), with molecular formula C21H20O6 and molecular weight 368.13 g/mol. IUPAC: (3aR,4R,9aR)-4-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one.
Chemical Property Profile of Polygamatin
Property Insights of Polygamatin
The XLogP value of 3.3 indicates that Polygamatin 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 Polygamatin. Following Lipinski's Rule of Five, Polygamatin 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 Polygamatin?
The CAS number of Polygamatin is 71640-48-7.
What is the molecular formula of Polygamatin?
The molecular formula of Polygamatin is C21H20O6.
What is the molecular weight of Polygamatin?
The molecular weight of Polygamatin is 368.13 g/mol.
Where can I buy Polygamatin?
You can request a quote for Polygamatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Polygamatin?
Yes, KEHONG BIO provides custom synthesis services for Polygamatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.