Copalliferol B
TL;DR: Copalliferol B (CAS 104380-52-1) is a chemical compound with molecular formula C42H32O9 and molecular weight 680.20465 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,8S,11S,18R)-9-(3,5-dihydroxyphenyl)-8,10,18-tris(4-hydroxyphenyl)tetracyclo[9.7.0.02,7.012,17]octadeca-2(7),3,5,9,12(17),13,15-heptaene-4,6,14,16-tetrol
Also Known As: Copalliferol B, J2.451.197I, (1S,8S,11S,18R)-9-(3,5-dihydroxyphenyl)-8,10,18-tris(4-hydroxyphenyl)tetracyclo[9.7.0.02,7.012,17]octadeca-2(7),3,5,9,12(17),13,15-heptaene-4,6,14,16-tetrol, (1S,8S,11S,18R)-9-(3,5-dihydroxyphenyl)-8,10,18-tris(4-hydroxyphenyl)tetracyclo[9.7.0.02,7.012,17]octadeca-2,4,6,9,12,14,16-heptaene-4,6,14,16-tetrol, (5S,7aS,12R,12aS)-6-(3,5-Dihydroxyphenyl)-5,7,12-tris(4-hydroxyphenyl)-5,7a,12,12a-tetrahydrodibenzo[a,e]azulene-2,4,9,11-tetrol
Technical Specifications
| Molecular Formula | C42H32O9 |
| Molecular Weight | 680.20465 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 182.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 680.20465 Da |
| Heavy Atoms | 51 |
| Complexity | 1210.0 |
| SMILES | C1=CC(=CC=C1[C@H]2[C@@H]3[C@@H](C4=C2C(=CC(=C4)O)O)C(=C([C@@H](C5=C3C=C(C=C5O)O)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)C8=CC=C(C=C8)O)O |
| InChIKey | WJBCPQVBWGTJNA-GUOLYAGMSA-N |
Chemical Property Profile of Copalliferol B
Property Insights of Copalliferol B
The XLogP value of 6.6 indicates that Copalliferol B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 182.0 Ų indicates high polarity, suggesting Copalliferol B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Copalliferol B has 9 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Copalliferol B?
The CAS number of Copalliferol B is 104380-52-1.
What is the molecular formula of Copalliferol B?
The molecular formula of Copalliferol B is C42H32O9.
What is the molecular weight of Copalliferol B?
The molecular weight of Copalliferol B is 680.20465 g/mol.
Where can I buy Copalliferol B?
You can request a quote for Copalliferol B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Copalliferol B?
Yes, CoreyChem provides custom synthesis services for Copalliferol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.