2,4-二羟基-5-己基苯甲醛
TL;DR: 2,4-二羟基-5-己基苯甲醛 (CAS 37470-87-4) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-二羟基-5-己基苯甲醛
5-hexyl-2,4-dihydroxybenzaldehyde
Also Known As: 5-hexyl-2,4-dihydroxybenzaldehyde, 2,4-Dihydroxy-5-hexylbenzaldehyde, BENZALDEHYDE, 2,4-DIHYDROXY-5-HEXYL-, 5-hexyl-2,4-dihydroxy-benzaldehyde, 1H-Benzimidazole,2-cyclohexyl-(9CI)
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 37470-87-4 |
|---|---|
| SMILES | CCCCCCC1=CC(=C(C=C1O)O)C=O |
| InChIKey | UBCGVJPYIHKJRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-二羟基-5-己基苯甲醛 (CAS 37470-87-4), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 5-hexyl-2,4-dihydroxybenzaldehyde.
Chemical Property Profile of 2,4-二羟基-5-己基苯甲醛
Property Insights of 2,4-二羟基-5-己基苯甲醛
The XLogP value of 4.2 indicates that 2,4-二羟基-5-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 57.5 Ų, 2,4-二羟基-5-己基苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-二羟基-5-己基苯甲醛 has 2 hydrogen bond donor(s) and 3 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 2,4-二羟基-5-己基苯甲醛?
The CAS number of 2,4-二羟基-5-己基苯甲醛 is 37470-87-4.
What is the molecular formula of 2,4-二羟基-5-己基苯甲醛?
The molecular formula of 2,4-二羟基-5-己基苯甲醛 is C13H18O3.
What is the molecular weight of 2,4-二羟基-5-己基苯甲醛?
The molecular weight of 2,4-二羟基-5-己基苯甲醛 is 222.13 g/mol.
Where can I buy 2,4-二羟基-5-己基苯甲醛?
You can request a quote for 2,4-二羟基-5-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 2,4-二羟基-5-己基苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 2,4-二羟基-5-己基苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.