庚醛
TL;DR: 庚醛 (CAS 111-71-7) is a chemical compound with molecular formula C7H14O and molecular weight 114.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
庚醛
heptanal
Also Known As: Heptanal, Heptaldehyde, Enanthaldehyde, n-Heptaldehyde, Enanthal
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 50.0 |
| Melting Point | -42.8 °C |
| Boiling Point | 152.8 °C at 760 mmHg |
| Density | 0.8495 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 35.0 °C |
| Vapor Pressure | 3 mmHg at 25.0 °C ; 5 mmHg at 32.7 °C |
| Refractive Index | 1.4113 at 20 C |
| GHS Signal | Warning |
| H-Statements | H2120, H226, H315, H412 |
Chemical Identifiers
| CAS Number | 111-71-7 |
|---|---|
| SMILES | CCCCCCC=O |
| InChIKey | FXHGMKSSBGDXIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
庚醛 (CAS 111-71-7), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: heptanal.
Chemical Property Profile of 庚醛
Property Insights of 庚醛
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 庚醛. With a topological polar surface area (TPSA) of 17.1 Ų, 庚醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 庚醛 has 0 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 庚醛?
The CAS number of 庚醛 is 111-71-7.
What is the molecular formula of 庚醛?
The molecular formula of 庚醛 is C7H14O.
What is the molecular weight of 庚醛?
The molecular weight of 庚醛 is 114.10 g/mol.
Where can I buy 庚醛?
You can request a quote for 庚醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 庚醛?
Yes, KEHONG BIO provides custom synthesis services for 庚醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.