Debneyol
TL;DR: Debneyol (CAS 99694-82-3) is a chemical compound with molecular formula C15H26O2 and molecular weight 238.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(2R,8R,8aR)-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]propane-1,2-diol
Also Known As: Debneyol, (2S)-2-[(2R,8R,8aR)-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]propane-1,2-diol, (2S)-2-[(2R,8R,8aR)-8,8a-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]propane-1,2-diol, (2S)-2-((2R,8R,8aR)-1,2,3,5,6,7,8,8a-Octahydro-8,8a-dimethyl-2-naphthalenyl)-1,2-propanediol, (2S)-2-((2R,8R,8aR)-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl)propane-1,2-diol
| Molecular Formula | C15H26O2 |
|---|---|
| Molecular Weight | 238.19 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.19328 |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 99694-82-3 |
|---|---|
| SMILES | C[C@@H]1CCCC2=CC[C@H](C[C@]12C)[C@@](C)(CO)O |
| InChIKey | XJXXJYGANFEEDD-NMFUWQPSSA-N |
Product Overview
Debneyol (CAS 99694-82-3), with molecular formula C15H26O2 and molecular weight 238.19 g/mol. IUPAC: (2S)-2-[(2R,8R,8aR)-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]propane-1,2-diol.
Chemical Property Profile of Debneyol
Property Insights of Debneyol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Debneyol. With a topological polar surface area (TPSA) of 40.5 Ų, Debneyol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Debneyol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Debneyol?
The CAS number of Debneyol is 99694-82-3.
What is the molecular formula of Debneyol?
The molecular formula of Debneyol is C15H26O2.
What is the molecular weight of Debneyol?
The molecular weight of Debneyol is 238.19 g/mol.
Where can I buy Debneyol?
You can request a quote for Debneyol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Debneyol?
Yes, KEHONG BIO provides custom synthesis services for Debneyol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.