Sorocein A
TL;DR: Sorocein A (CAS 137460-77-6) is a chemical compound with molecular formula C39H34O8 and molecular weight 630.22534 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
17-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-1-(5-hydroxy-2,2-dimethylchromen-8-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol
Also Known As: Sorocein A, 17-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-1-(5-hydroxy-2,2-dimethylchromen-8-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol, 3aH-Benzo(3,4)(2)benzopyrano(1,8-bc)(1)benzopyran-4,11-diol, 6-(2-(2,4-dihydroxyphenyl)ethenyl)-1,8a,13b,13c-tetrahydro-8a-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-2-methyl-, 17-((E)-2-(2,4-dihydroxyphenyl)ethenyl)-1-(5-hydroxy-2,2-dimethylchromen-8-yl)-11-methyl-2,20-dioxapentacyclo(11.7.1.03,8.09,21.014,19)henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol, 17-[2-(2,4-dihydroxyphenyl)ethenyl]-1-(5-hydroxy-2,2-dimethyl-2H-chromen-8-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,11,14,16,18-heptaene-5,15-diol
Technical Specifications
| Molecular Formula | C39H34O8 |
| Molecular Weight | 630.22534 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 630.22534 Da |
| Heavy Atoms | 47 |
| Complexity | 1260.0 |
| SMILES | CC1=CC2C3C(C1)C4=C(C=C(C=C4)O)OC3(OC5=CC(=CC(=C25)O)/C=C/C6=C(C=C(C=C6)O)O)C7=C8C(=C(C=C7)O)C=CC(O8)(C)C |
| InChIKey | YSIMPAVIBIIDOC-SNAWJCMRSA-N |
Chemical Property Profile of Sorocein A
Property Insights of Sorocein A
The XLogP value of 7.1 indicates that Sorocein A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sorocein A. Following Lipinski's Rule of Five, Sorocein A has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Sorocein A?
The CAS number of Sorocein A is 137460-77-6.
What is the molecular formula of Sorocein A?
The molecular formula of Sorocein A is C39H34O8.
What is the molecular weight of Sorocein A?
The molecular weight of Sorocein A is 630.22534 g/mol.
Where can I buy Sorocein A?
You can request a quote for Sorocein A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sorocein A?
Yes, CoreyChem provides custom synthesis services for Sorocein A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.