Benzaldehyde, 2,4-bis(1-methylethyl)-
TL;DR: Benzaldehyde, 2,4-bis(1-methylethyl)- (CAS 68459-95-0) 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.
2,4-di(propan-2-yl)benzaldehyde
Also Known As: 2,4-Diisopropylbenzaldehyde, 2,4-Bis(isopropyl)benzaldehyde, Benzaldehyde, 2,4-bis(1-methylethyl)-, 2,4-di(propan-2-yl)benzaldehyde, 2,4-diisopropyl benzaldehyde
| Molecular Formula | C13H18O |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.13577 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 68459-95-0 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1)C=O)C(C)C |
| InChIKey | BKKSNSNLVYSDPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzaldehyde, 2,4-bis(1-methylethyl)- (CAS 68459-95-0), with molecular formula C13H18O and molecular weight 190.14 g/mol. IUPAC: 2,4-di(propan-2-yl)benzaldehyde.
Chemical Property Profile of Benzaldehyde, 2,4-bis(1-methylethyl)-
Property Insights of Benzaldehyde, 2,4-bis(1-methylethyl)-
The XLogP value of 3.6 indicates that Benzaldehyde, 2,4-bis(1-methylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Benzaldehyde, 2,4-bis(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzaldehyde, 2,4-bis(1-methylethyl)- 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, 2,4-bis(1-methylethyl)-?
The CAS number of Benzaldehyde, 2,4-bis(1-methylethyl)- is 68459-95-0.
What is the molecular formula of Benzaldehyde, 2,4-bis(1-methylethyl)-?
The molecular formula of Benzaldehyde, 2,4-bis(1-methylethyl)- is C13H18O.
What is the molecular weight of Benzaldehyde, 2,4-bis(1-methylethyl)-?
The molecular weight of Benzaldehyde, 2,4-bis(1-methylethyl)- is 190.14 g/mol.
Where can I buy Benzaldehyde, 2,4-bis(1-methylethyl)-?
You can request a quote for Benzaldehyde, 2,4-bis(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzaldehyde, 2,4-bis(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzaldehyde, 2,4-bis(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.