4-戊基苯甲醛
TL;DR: 4-戊基苯甲醛 (CAS 6853-57-2) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-戊基苯甲醛
4-pentylbenzaldehyde
Also Known As: 4-PENTYLBENZALDEHYDE, 4-N-Pentylbenzaldehyde, p-Pentylbenzaldehyde, Benzaldehyde, 4-pentyl-, 4-n-Amylbenzaldehyde
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 6853-57-2 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)C=O |
| InChIKey | NQVZPRUSNWNSQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-戊基苯甲醛 (CAS 6853-57-2), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 4-pentylbenzaldehyde.
Chemical Property Profile of 4-戊基苯甲醛
Property Insights of 4-戊基苯甲醛
The XLogP value of 3.5 indicates that 4-戊基苯甲醛 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-戊基苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-戊基苯甲醛 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-戊基苯甲醛?
The CAS number of 4-戊基苯甲醛 is 6853-57-2.
What is the molecular formula of 4-戊基苯甲醛?
The molecular formula of 4-戊基苯甲醛 is C12H16O.
What is the molecular weight of 4-戊基苯甲醛?
The molecular weight of 4-戊基苯甲醛 is 176.12 g/mol.
Where can I buy 4-戊基苯甲醛?
You can request a quote for 4-戊基苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-戊基苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 4-戊基苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.