8'H)-dione
TL;DR: 8'H)-dione (CAS 132303-01-6) is a chemical compound with molecular formula C70H88N2O6 and molecular weight 1052.6642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyliminomethyl]-2-[8-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyliminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-3-methyl-5-propan-2-ylnaphthalene-1,6,7-triol
Also Known As: 8'H)-dione, (8Z,8'Z)-1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-8,8'-bis((((7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methyl)amino)methylene)-3,3'-dimethyl-[2,2'-binaphthalene]-7,7'(8H,, (8Z,8'Z)-1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-8,8'-bis((((7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methyl)amino)methylene)-3,3'-dimethyl-[2,2'-binaphthalene]-7,7'(8H,8'H)-dione [M+H]+, (8Z,8'Z)-8,8'-bis[(abieta-8,11,13-trien-18-ylamino)methylidene]-1,1',6,6'-tetrahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)-2,2'-binaphthalene-7,7'(8H,8'H)-dione, 1-[[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylamino]methylidene]-7-[8-[[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylamino]methylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-ylnaphthalen-2-one
Technical Specifications
| Molecular Formula | C70H88N2O6 |
| Molecular Weight | 1052.6642 g/mol |
| XLogP | 18.3 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 1052.6642 Da |
| Heavy Atoms | 78 |
| Complexity | 1950.0 |
| SMILES | CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NCC3(CCCC4(C3CCC5=C4C=CC(=C5)C(C)C)C)C)C(=C1C6=C(C7=C(C=C6C)C(=C(C(=C7C=NCC8(CCCC9(C8CCC1=C9C=CC(=C1)C(C)C)C)C)O)O)C(C)C)O)O |
| InChIKey | HJSUUMKMBHCPEZ-UHFFFAOYSA-N |
Chemical Property Profile of 8'H)-dione
Property Insights of 8'H)-dione
The XLogP value of 18.3 indicates that 8'H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting 8'H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8'H)-dione has 6 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 8'H)-dione?
The CAS number of 8'H)-dione is 132303-01-6.
What is the molecular formula of 8'H)-dione?
The molecular formula of 8'H)-dione is C70H88N2O6.
What is the molecular weight of 8'H)-dione?
The molecular weight of 8'H)-dione is 1052.6642 g/mol.
Where can I buy 8'H)-dione?
You can request a quote for 8'H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8'H)-dione?
Yes, CoreyChem provides custom synthesis services for 8'H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.