Episesartemin A
TL;DR: Episesartemin A (CAS 77449-31-1) is a chemical compound with molecular formula C23H26O8 and molecular weight 430.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3aR,6S,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole
Also Known As: EPISESARTEMIN A, NCI60_003599, 6-[(3aR,6S,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole, 4-Methoxy-6-[(3aR,4S,6aR)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2H-1,3-benzodioxole, 6-((3aR,6S,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furan-3-yl)-4-methoxy-1,3-benzodioxole
| Molecular Formula | C23H26O8 |
|---|---|
| Molecular Weight | 430.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.16278 |
| Heavy Atoms | 31 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 77449-31-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@H]3COC([C@H]3CO2)C4=CC5=C(C(=C4)OC)OCO5 |
| InChIKey | DHWUVPPRBIJJKS-MDOOXIRGSA-N |
Product Overview
Episesartemin A (CAS 77449-31-1), with molecular formula C23H26O8 and molecular weight 430.16 g/mol. IUPAC: 6-[(3aR,6S,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole.
Chemical Property Profile of Episesartemin A
Property Insights of Episesartemin A
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Episesartemin A. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Episesartemin A. Following Lipinski's Rule of Five, Episesartemin A has 0 hydrogen bond donor(s) and 8 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 Episesartemin A?
The CAS number of Episesartemin A is 77449-31-1.
What is the molecular formula of Episesartemin A?
The molecular formula of Episesartemin A is C23H26O8.
What is the molecular weight of Episesartemin A?
The molecular weight of Episesartemin A is 430.16 g/mol.
Where can I buy Episesartemin A?
You can request a quote for Episesartemin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Episesartemin A?
Yes, KEHONG BIO provides custom synthesis services for Episesartemin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.