Benzaldehyde, 4-(3-methylbutyl)-
TL;DR: Benzaldehyde, 4-(3-methylbutyl)- (CAS 84682-18-8) 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-(3-methylbutyl)benzaldehyde
Also Known As: p-(Isopentyl)benzaldehyde, p- benzaldehyde, 4-(3-methylbutyl)benzaldehyde, 4-Isoamyl-benzaldehyd, 4-Isopentylbenzaldehyde
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.0877 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 258.9579 |
Chemical Identifiers
| CAS Number | 84682-18-8 |
|---|---|
| SMILES | CC(C)CCC1=CC=C(C=C1)C=O |
Product Overview
Benzaldehyde, 4-(3-methylbutyl)- (CAS 84682-18-8), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 4-(3-methylbutyl)benzaldehyde.
Chemical Property Profile of Benzaldehyde, 4-(3-methylbutyl)-
Property Insights of Benzaldehyde, 4-(3-methylbutyl)-
The XLogP value of 3.0877 indicates that Benzaldehyde, 4-(3-methylbutyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Benzaldehyde, 4-(3-methylbutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzaldehyde, 4-(3-methylbutyl)- 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 Benzaldehyde, 4-(3-methylbutyl)-?
The CAS number of Benzaldehyde, 4-(3-methylbutyl)- is 84682-18-8.
What is the molecular formula of Benzaldehyde, 4-(3-methylbutyl)-?
The molecular formula of Benzaldehyde, 4-(3-methylbutyl)- is C12H16O.
What is the molecular weight of Benzaldehyde, 4-(3-methylbutyl)-?
The molecular weight of Benzaldehyde, 4-(3-methylbutyl)- is 176.12 g/mol.
Where can I buy Benzaldehyde, 4-(3-methylbutyl)-?
You can request a quote for Benzaldehyde, 4-(3-methylbutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzaldehyde, 4-(3-methylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzaldehyde, 4-(3-methylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.