Ccris 3066
TL;DR: Ccris 3066 (CAS 117855-87-5) is a chemical compound with molecular formula C44H54O8 and molecular weight 710.3819 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,5E,16S,17R,18S,22R,27R,28R)-8-[(1Z)-buta-1,3-dienyl]-22,27-dihydroxy-20-(hydroxymethyl)-16,24,28-trimethyl-10-[(1E,3E,5E)-nona-1,3,5-trienyl]-2,14-dioxaheptacyclo[14.13.0.01,17.07,12.09,11.018,27.022,26]nonacosa-5,19,24-triene-3,13,23-trione
Also Known As: DHPB, 12-Deoxy-16-hydroxyphorbol-4'-(12',14'-butadienyl)-6'-(16',18',20'-nonatrienyl)-bicyclo(3.1.0)hexane-(13-O)-2'-(carboxylate)-(16-O)-3'-(8'-butenoic-10')ate, 12-Deoxy-16-hydroxyphorbol-(4'-(12',14'-butadienyl)-6'-(16',18',20'-nonatrienyl)bicycle(3.1.0)hexane-(13-0)-2'-(carboxylate)-(16-0)-3'-butenoic-10')ate, (1S,5E,16S,17R,18S,22R,27R,28R)-8-[(1Z)-buta-1,3-dienyl]-22,27-dihydroxy-20-(hydroxymethyl)-16,24,28-trimethyl-10-[(1E,3E,5E)-nona-1,3,5-trienyl]-2,14-dioxaheptacyclo[14.13.0.01,17.07,12.09,11.018,27.022,26]nonacosa-5,19,24-triene-3,13,23-trione, 12-DEOXY-16-HYDROXYPHORBOL-4'-[12',14'-BUTADIENYL]-6'-[16',18',20'-NONATRIENYL]- BICYCLE[3.1.0]HEXANE-(13-0)-2'-[CARBOXYLATE]-(16-0)-3'-BUTENOIC-10']ATE
Technical Specifications
| Molecular Formula | C44H54O8 |
| Molecular Weight | 710.3819 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 710.3819 Da |
| Heavy Atoms | 52 |
| Complexity | 1730.0 |
| SMILES | CCC/C=C/C=C/C=C/C1C2C1C3C(C2/C=C\C=C)/C=C/CC(=O)O[C@@]45C[C@H]([C@]6([C@H]([C@@H]4[C@]5(COC3=O)C)C=C(C[C@]7(C6C=C(C7=O)C)O)CO)O)C |
| InChIKey | RTRLXYBQXKHELY-MNPGUSKJSA-N |
Chemical Property Profile of Ccris 3066
Property Insights of Ccris 3066
The XLogP value of 5.6 indicates that Ccris 3066 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ccris 3066. Following Lipinski's Rule of Five, Ccris 3066 has 3 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 Ccris 3066?
The CAS number of Ccris 3066 is 117855-87-5.
What is the molecular formula of Ccris 3066?
The molecular formula of Ccris 3066 is C44H54O8.
What is the molecular weight of Ccris 3066?
The molecular weight of Ccris 3066 is 710.3819 g/mol.
Where can I buy Ccris 3066?
You can request a quote for Ccris 3066 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ccris 3066?
Yes, CoreyChem provides custom synthesis services for Ccris 3066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.