1,4-Heptanediol
TL;DR: 1,4-Heptanediol (CAS 113611-45-3) is a chemical compound with molecular formula C7H16O2 and molecular weight 132.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
heptane-1,4-diol
Also Known As: 1,4-Heptanediol, Heptane-1,4-diol, 1,4-Heptanediol,(R), 1,4-Heptanediol, (R)-, (4R)-HEPTANE-1,4-DIOL
Technical Specifications
| Molecular Formula | C7H16O2 |
| Molecular Weight | 132.11504 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 132.11504 Da |
| Heavy Atoms | 9 |
| Complexity | 54.0 |
| SMILES | CCCC(CCCO)O |
| InChIKey | OGRCRHSHBFQRKO-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Heptanediol
Property Insights of 1,4-Heptanediol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Heptanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 1,4-Heptanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Heptanediol 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 1,4-Heptanediol?
The CAS number of 1,4-Heptanediol is 113611-45-3.
What is the molecular formula of 1,4-Heptanediol?
The molecular formula of 1,4-Heptanediol is C7H16O2.
What is the molecular weight of 1,4-Heptanediol?
The molecular weight of 1,4-Heptanediol is 132.11504 g/mol.
Where can I buy 1,4-Heptanediol?
You can request a quote for 1,4-Heptanediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Heptanediol?
Yes, CoreyChem provides custom synthesis services for 1,4-Heptanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.