4-庚醇
TL;DR: 4-庚醇 (CAS 589-55-9) is a chemical compound with molecular formula C7H16O and molecular weight 116.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-庚醇
heptan-4-ol
Also Known As: Heptan-4-ol, Dipropylcarbinol, 4-Heptyl Alcohol, di-n-Propylcarbinol, Heptane-4-ol
| Molecular Formula | C7H16O |
|---|---|
| Molecular Weight | 116.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 116.12012 |
| Heavy Atoms | 8 |
| Complexity | 37.0 |
Chemical Identifiers
| CAS Number | 589-55-9 |
|---|---|
| SMILES | CCCC(CCC)O |
| InChIKey | YVBCULSIZWMTFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-庚醇 (CAS 589-55-9), with molecular formula C7H16O and molecular weight 116.12 g/mol. IUPAC: heptan-4-ol.
Chemical Property Profile of 4-庚醇
Property Insights of 4-庚醇
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-庚醇. With a topological polar surface area (TPSA) of 20.2 Ų, 4-庚醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-庚醇 has 1 hydrogen bond donor(s) and 1 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 4-庚醇?
The CAS number of 4-庚醇 is 589-55-9.
What is the molecular formula of 4-庚醇?
The molecular formula of 4-庚醇 is C7H16O.
What is the molecular weight of 4-庚醇?
The molecular weight of 4-庚醇 is 116.12 g/mol.
Where can I buy 4-庚醇?
You can request a quote for 4-庚醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-庚醇?
Yes, KEHONG BIO provides custom synthesis services for 4-庚醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.