2,3-Secocholestane-2,3-diol
TL;DR: 2,3-Secocholestane-2,3-diol (CAS 14124-56-2) is a chemical compound with molecular formula C27H50O2 and molecular weight 406.38107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3R,3aR,5aS,6S,7S,9aR,9bS)-6-(2-hydroxyethyl)-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]ethanol
Also Known As: 2,3-Scd, 2,3-Secocholestane-2,3-diol, 2,3-Secocholestane-2,3-diol, (5beta)-, 2-[(3R,3aR,5aS,6S,7S,9aR,9bS)-6-(2-hydroxyethyl)-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]ethanol, 2,2'-[3a,6-Dimethyl-3-(6-methylheptan-2-yl)dodecahydro-1H-cyclopenta[a]naphthalene-6,7-diyl]di(ethan-1-ol)
Technical Specifications
| Molecular Formula | C27H50O2 |
| Molecular Weight | 406.38107 g/mol |
| XLogP | 8.5 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 406.38107 Da |
| Heavy Atoms | 29 |
| Complexity | 517.0 |
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]([C@]3(C)CCO)CCO)C |
| InChIKey | MYDRWTVVYQCTQX-CJPSHIORSA-N |
Chemical Property Profile of 2,3-Secocholestane-2,3-diol
Property Insights of 2,3-Secocholestane-2,3-diol
The XLogP value of 8.5 indicates that 2,3-Secocholestane-2,3-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 2,3-Secocholestane-2,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Secocholestane-2,3-diol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2,3-Secocholestane-2,3-diol?
The CAS number of 2,3-Secocholestane-2,3-diol is 14124-56-2.
What is the molecular formula of 2,3-Secocholestane-2,3-diol?
The molecular formula of 2,3-Secocholestane-2,3-diol is C27H50O2.
What is the molecular weight of 2,3-Secocholestane-2,3-diol?
The molecular weight of 2,3-Secocholestane-2,3-diol is 406.38107 g/mol.
Where can I buy 2,3-Secocholestane-2,3-diol?
You can request a quote for 2,3-Secocholestane-2,3-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Secocholestane-2,3-diol?
Yes, CoreyChem provides custom synthesis services for 2,3-Secocholestane-2,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.