1-庚醇
TL;DR: 1-庚醇 (CAS 111-70-6) 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.
1-庚醇
heptan-1-ol
Also Known As: 1-HEPTANOL, Heptan-1-ol, Heptyl alcohol, Heptanol, n-Heptanol
| Molecular Formula | C7H16O |
|---|---|
| Molecular Weight | 116.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 116.12012 |
| Heavy Atoms | 8 |
| Complexity | 35.0 |
| Melting Point | -33.9 °C |
| Boiling Point | 176.1 °C at 760 mmHg |
| Density | 0.822 at 20.0 °C - Less dense than water; will float |
| Solubility | Miscible with alcohol, ether |
| Flash Point | 76.7 °C |
| Vapor Pressure | 0.21 [mmHg] |
| Refractive Index | 1.4249 at 20 degC |
Chemical Identifiers
| CAS Number | 111-70-6 |
|---|---|
| SMILES | CCCCCCCO |
| InChIKey | BBMCTIGTTCKYKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-庚醇 (CAS 111-70-6), with molecular formula C7H16O and molecular weight 116.12 g/mol. IUPAC: heptan-1-ol.
Chemical Property Profile of 1-庚醇
Property Insights of 1-庚醇
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-庚醇. With a topological polar surface area (TPSA) of 20.2 Ų, 1-庚醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-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 1-庚醇?
The CAS number of 1-庚醇 is 111-70-6.
What is the molecular formula of 1-庚醇?
The molecular formula of 1-庚醇 is C7H16O.
What is the molecular weight of 1-庚醇?
The molecular weight of 1-庚醇 is 116.12 g/mol.
Where can I buy 1-庚醇?
You can request a quote for 1-庚醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-庚醇?
Yes, KEHONG BIO provides custom synthesis services for 1-庚醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.