(1S,3S)-cyclohexane-1,3-diol
TL;DR: (1S,3S)-cyclohexane-1,3-diol (CAS 140460-27-1) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trans-(1S,3S)-cyclohexane-1,3-diol
Also Known As: Resorcitol, trans-1,3-Cyclohexanediol, (1S,3S)-cyclohexane-1,3-diol, 1,3-Cyclohexanediol, trans-, trans-1,3-Cyclohexanol
Technical Specifications
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.08373 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.08373 Da |
| Heavy Atoms | 8 |
| Complexity | 64.0 |
| SMILES | C1C[C@@H](C[C@H](C1)O)O |
| InChIKey | RLMGYIOTPQVQJR-WDSKDSINSA-N |
Chemical Property Profile of (1S,3S)-cyclohexane-1,3-diol
Property Insights of (1S,3S)-cyclohexane-1,3-diol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,3S)-cyclohexane-1,3-diol. With a topological polar surface area (TPSA) of 40.5 Ų, (1S,3S)-cyclohexane-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,3S)-cyclohexane-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 (1S,3S)-cyclohexane-1,3-diol?
The CAS number of (1S,3S)-cyclohexane-1,3-diol is 140460-27-1.
What is the molecular formula of (1S,3S)-cyclohexane-1,3-diol?
The molecular formula of (1S,3S)-cyclohexane-1,3-diol is C6H12O2.
What is the molecular weight of (1S,3S)-cyclohexane-1,3-diol?
The molecular weight of (1S,3S)-cyclohexane-1,3-diol is 116.08373 g/mol.
Where can I buy (1S,3S)-cyclohexane-1,3-diol?
You can request a quote for (1S,3S)-cyclohexane-1,3-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1S,3S)-cyclohexane-1,3-diol?
Yes, CoreyChem provides custom synthesis services for (1S,3S)-cyclohexane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.