(2S,3S)-2-ethylhexane-1,3-diol
TL;DR: (2S,3S)-2-ethylhexane-1,3-diol (CAS 10017-84-2) is a chemical compound with molecular formula C8H18O2 and molecular weight 146.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S)-2-ethylhexane-1,3-diol
Also Known As: (2S,3S)-2-ethylhexane-1,3-diol, rel-(2R,3R)-2-Ethyl-1,3-hexanediol, (3S,4S)-3-(Hydroxymethyl)-4-heptanol, J1.355.359I
Technical Specifications
| Molecular Formula | C8H18O2 |
| Molecular Weight | 146.13068 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.13068 Da |
| Heavy Atoms | 10 |
| Complexity | 73.0 |
| SMILES | CCC[C@@H]([C@@H](CC)CO)O |
| InChIKey | RWLALWYNXFYRGW-YUMQZZPRSA-N |
Chemical Property Profile of (2S,3S)-2-ethylhexane-1,3-diol
Property Insights of (2S,3S)-2-ethylhexane-1,3-diol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3S)-2-ethylhexane-1,3-diol. With a topological polar surface area (TPSA) of 40.5 Ų, (2S,3S)-2-ethylhexane-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,3S)-2-ethylhexane-1,3-diol 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
What is the CAS number of (2S,3S)-2-ethylhexane-1,3-diol?
The CAS number of (2S,3S)-2-ethylhexane-1,3-diol is 10017-84-2.
What is the molecular formula of (2S,3S)-2-ethylhexane-1,3-diol?
The molecular formula of (2S,3S)-2-ethylhexane-1,3-diol is C8H18O2.
What is the molecular weight of (2S,3S)-2-ethylhexane-1,3-diol?
The molecular weight of (2S,3S)-2-ethylhexane-1,3-diol is 146.13068 g/mol.
Where can I buy (2S,3S)-2-ethylhexane-1,3-diol?
You can request a quote for (2S,3S)-2-ethylhexane-1,3-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S,3S)-2-ethylhexane-1,3-diol?
Yes, CoreyChem provides custom synthesis services for (2S,3S)-2-ethylhexane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.