CB 966
TL;DR: CB 966 (CAS 128313-07-5) is a chemical compound with molecular formula C30H50O3 and molecular weight 458.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-7-ethyl-7-hydroxynonan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: CB 966, (6-bromo-3-ethylhexan-3-yl)oxy-trimethylsilane, (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-7-ethyl-7-hydroxynonan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol, 1,3-Cyclohexanediol, 5-((1-(6-ethyl-6-hydroxy-1-methyloctyl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1R-(1alpha(R*),3abeta,4E(1R*,3S*,5Z),7aalpha))-, 24a-Homo-26,27-dimethyl-1alpha,25-dihydroxycholecalciferol
| Molecular Formula | C30H50O3 |
|---|---|
| Molecular Weight | 458.38 g/mol |
| LogP | 6.875 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.376 |
| Heavy Atoms | 33 |
| Complexity | 730.8237 |
Chemical Identifiers
| CAS Number | 128313-07-5 |
|---|---|
| SMILES | CCC(CC)(CCCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O |
Product Overview
CB 966 (CAS 128313-07-5), with molecular formula C30H50O3 and molecular weight 458.38 g/mol. IUPAC: trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-7-ethyl-7-hydroxynonan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.
Chemical Property Profile of CB 966
Property Insights of CB 966
The XLogP value of 6.875 indicates that CB 966 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for CB 966. Following Lipinski's Rule of Five, CB 966 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CB 966?
The CAS number of CB 966 is 128313-07-5.
What is the molecular formula of CB 966?
The molecular formula of CB 966 is C30H50O3.
What is the molecular weight of CB 966?
The molecular weight of CB 966 is 458.38 g/mol.
Where can I buy CB 966?
You can request a quote for CB 966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CB 966?
Yes, KEHONG BIO provides custom synthesis services for CB 966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.