2-庚醇
TL;DR: 2-庚醇 (CAS 543-49-7) 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.
2-庚醇
heptan-2-ol
Also Known As: 2-HEPTANOL, Heptan-2-ol, s-Heptyl alcohol, 2-Heptyl alcohol, 2-Hydroxyheptane
| Molecular Formula | C7H16O |
|---|---|
| Molecular Weight | 116.12 g/mol |
| LogP | 2.3 |
| 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 | 43.0 |
| Boiling Point | 158-160 °C |
| Density | Relative density (water = 1): 0.82 |
| Solubility | Solubility in water, g/100ml: 0.35 |
| Flash Point | 71.1 °C (NFPA, 2010) |
| Vapor Pressure | 1.23 [mmHg] |
| Refractive Index | 1.421-1.422 |
Chemical Identifiers
| CAS Number | 543-49-7 |
|---|---|
| SMILES | CCCCCC(C)O |
| InChIKey | CETWDUZRCINIHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-庚醇 (CAS 543-49-7), with molecular formula C7H16O and molecular weight 116.12 g/mol. IUPAC: heptan-2-ol.
Chemical Property Profile of 2-庚醇
Property Insights of 2-庚醇
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-庚醇. With a topological polar surface area (TPSA) of 20.2 Ų, 2-庚醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-庚醇?
The CAS number of 2-庚醇 is 543-49-7.
What is the molecular formula of 2-庚醇?
The molecular formula of 2-庚醇 is C7H16O.
What is the molecular weight of 2-庚醇?
The molecular weight of 2-庚醇 is 116.12 g/mol.
Where can I buy 2-庚醇?
You can request a quote for 2-庚醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-庚醇?
Yes, KEHONG BIO provides custom synthesis services for 2-庚醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.