5-(丁-2-基)-2-羟基苯甲醛
TL;DR: 5-(丁-2-基)-2-羟基苯甲醛 (CAS 59893-28-6) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(丁-2-基)-2-羟基苯甲醛
5-butan-2-yl-2-hydroxybenzaldehyde
Also Known As: 5-(butan-2-yl)-2-hydroxybenzaldehyde, 5-Sec-butyl-2-hydroxybenzaldehyde, 5-butan-2-yl-2-hydroxybenzaldehyde, 2-Hydroxy-5-sec-butylbenzaldehyde, 2-hydroxy-5-sec-butyl-benzaldehyde
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 59893-28-6 |
|---|---|
| SMILES | CCC(C)C1=CC(=C(C=C1)O)C=O |
| InChIKey | KKECZRYVNIFRRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(丁-2-基)-2-羟基苯甲醛 (CAS 59893-28-6), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 5-butan-2-yl-2-hydroxybenzaldehyde.
Chemical Property Profile of 5-(丁-2-基)-2-羟基苯甲醛
Property Insights of 5-(丁-2-基)-2-羟基苯甲醛
The XLogP value of 3.5 indicates that 5-(丁-2-基)-2-羟基苯甲醛 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 5-(丁-2-基)-2-羟基苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(丁-2-基)-2-羟基苯甲醛 has 1 hydrogen bond donor(s) and 2 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 5-(丁-2-基)-2-羟基苯甲醛?
The CAS number of 5-(丁-2-基)-2-羟基苯甲醛 is 59893-28-6.
What is the molecular formula of 5-(丁-2-基)-2-羟基苯甲醛?
The molecular formula of 5-(丁-2-基)-2-羟基苯甲醛 is C11H14O2.
What is the molecular weight of 5-(丁-2-基)-2-羟基苯甲醛?
The molecular weight of 5-(丁-2-基)-2-羟基苯甲醛 is 178.10 g/mol.
Where can I buy 5-(丁-2-基)-2-羟基苯甲醛?
You can request a quote for 5-(丁-2-基)-2-羟基苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(丁-2-基)-2-羟基苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 5-(丁-2-基)-2-羟基苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.