rel-(2R,3S)-2-Ethyl-1,3-hexanediol
TL;DR: rel-(2R,3S)-2-Ethyl-1,3-hexanediol (CAS 4780-68-1) is a chemical compound with molecular formula C8H18O2 and molecular weight 146.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R)-2-ethylhexane-1,3-diol
Also Known As: (2S,3R)-2-ethylhexane-1,3-diol, 2-ETHYL-1,3-HEXANEDIOL, rel-(2R,3S)-2-Ethyl-1,3-hexanediol, RefChem:379110
| Molecular Formula | C8H18O2 |
|---|---|
| Molecular Weight | 146.13 g/mol |
| LogP | 1.1659 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.13068 |
| Heavy Atoms | 10 |
| Complexity | 69.657845 |
Chemical Identifiers
| CAS Number | 4780-68-1 |
|---|---|
| SMILES | CCC[C@H]([C@@H](CC)CO)O |
Product Overview
rel-(2R,3S)-2-Ethyl-1,3-hexanediol (CAS 4780-68-1), with molecular formula C8H18O2 and molecular weight 146.13 g/mol. IUPAC: (2S,3R)-2-ethylhexane-1,3-diol.
Chemical Property Profile of rel-(2R,3S)-2-Ethyl-1,3-hexanediol
Property Insights of rel-(2R,3S)-2-Ethyl-1,3-hexanediol
The XLogP value of 1.1659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-(2R,3S)-2-Ethyl-1,3-hexanediol. With a topological polar surface area (TPSA) of 40.46 Ų, rel-(2R,3S)-2-Ethyl-1,3-hexanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-(2R,3S)-2-Ethyl-1,3-hexanediol 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 rel-(2R,3S)-2-Ethyl-1,3-hexanediol?
The CAS number of rel-(2R,3S)-2-Ethyl-1,3-hexanediol is 4780-68-1.
What is the molecular formula of rel-(2R,3S)-2-Ethyl-1,3-hexanediol?
The molecular formula of rel-(2R,3S)-2-Ethyl-1,3-hexanediol is C8H18O2.
What is the molecular weight of rel-(2R,3S)-2-Ethyl-1,3-hexanediol?
The molecular weight of rel-(2R,3S)-2-Ethyl-1,3-hexanediol is 146.13 g/mol.
Where can I buy rel-(2R,3S)-2-Ethyl-1,3-hexanediol?
You can request a quote for rel-(2R,3S)-2-Ethyl-1,3-hexanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-(2R,3S)-2-Ethyl-1,3-hexanediol?
Yes, KEHONG BIO provides custom synthesis services for rel-(2R,3S)-2-Ethyl-1,3-hexanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.