4-己基苯甲醛
TL;DR: 4-己基苯甲醛 (CAS 49763-69-1) is a chemical compound with molecular formula C13H18O and molecular weight 190.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-己基苯甲醛
4-hexylbenzaldehyde
Also Known As: 4-hexylbenzaldehyde, Benzaldehyde, 4-hexyl-, p-Hexylbenzaldehyde, 4-N-HEXYLBENZALDEHYDE, parahexylbenzaldehyde
| Molecular Formula | C13H18O |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 190.13577 |
| Heavy Atoms | 14 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 49763-69-1 |
|---|---|
| SMILES | CCCCCCC1=CC=C(C=C1)C=O |
| InChIKey | KRNAJRBXIMJEFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-己基苯甲醛 (CAS 49763-69-1), with molecular formula C13H18O and molecular weight 190.14 g/mol. IUPAC: 4-hexylbenzaldehyde.
Chemical Property Profile of 4-己基苯甲醛
Property Insights of 4-己基苯甲醛
The XLogP value of 4.1 indicates that 4-己基苯甲醛 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-己基苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-己基苯甲醛 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 4-己基苯甲醛?
The CAS number of 4-己基苯甲醛 is 49763-69-1.
What is the molecular formula of 4-己基苯甲醛?
The molecular formula of 4-己基苯甲醛 is C13H18O.
What is the molecular weight of 4-己基苯甲醛?
The molecular weight of 4-己基苯甲醛 is 190.14 g/mol.
Where can I buy 4-己基苯甲醛?
You can request a quote for 4-己基苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-己基苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 4-己基苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.