Selligueain A
TL;DR: Selligueain A (CAS 152378-18-2) is a chemical compound with molecular formula C45H36O15 and molecular weight 816.20544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,5R,6R,7S,13R)-5,13-bis(4-hydroxyphenyl)-7-[(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
Also Known As: Selligueain A, Epiafzelechin-(4beta-8,2beta-0-7)-epiafzelechin-(4beta-8)-afzelechin, (1S,5R,6R,7S,13R)-5,13-Bis(4-hydroxyphenyl)-7-[(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol, (1S,5R,6R,7S,13R)-5,13-bis(4-hydroxyphenyl)-7-((2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl)-4,12,14-trioxapentacyclo(11.7.1.02,11.03,8.015,20)henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol, (2R,3R,4S,8R,14S)-2,8-Bis(4-hydroxyphenyl)-4-[(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H,8H,14H-8,14-methano-1,7,9-trioxabenzo[6,7]cycloocta[1,2-a]naphthalene-3,5,11,13,15-pentol
Technical Specifications
| Molecular Formula | C45H36O15 |
| Molecular Weight | 816.20544 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 259.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 4 |
| Exact Mass | 816.20544 Da |
| Heavy Atoms | 60 |
| Complexity | 1480.0 |
| SMILES | C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC5=C4[C@H]6C([C@@](O5)(OC7=CC(=CC(=C67)O)O)C8=CC=C(C=C8)O)O)O)C9=CC=C(C=C9)O)O)O)O)C1=CC=C(C=C1)O)O |
| InChIKey | PMDYNLFGCCRGRX-NSJNBNEDSA-N |
Chemical Property Profile of Selligueain A
Property Insights of Selligueain A
The XLogP value of 4.4 indicates that Selligueain A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 259.0 Ų indicates high polarity, suggesting Selligueain A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Selligueain A has 11 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Selligueain A?
The CAS number of Selligueain A is 152378-18-2.
What is the molecular formula of Selligueain A?
The molecular formula of Selligueain A is C45H36O15.
What is the molecular weight of Selligueain A?
The molecular weight of Selligueain A is 816.20544 g/mol.
Where can I buy Selligueain A?
You can request a quote for Selligueain A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Selligueain A?
Yes, CoreyChem provides custom synthesis services for Selligueain A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.