Benzaldehyde, 2,4-bis(1-methylethoxy)-
TL;DR: Benzaldehyde, 2,4-bis(1-methylethoxy)- (CAS 96501-80-3) 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-di(propan-2-yloxy)benzaldehyde
Also Known As: 2,4-Diisopropoxybenzaldehyde, 2,4-bis(propan-2-yloxy)benzaldehyde, Benzaldehyde, 2,4-bis(1-methylethoxy)-, 2,4-di(propan-2-yloxy)benzaldehyde, 2,4-Bis(1-methylethoxy)benzaldehyde
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 96501-80-3 |
|---|---|
| SMILES | CC(C)OC1=CC(=C(C=C1)C=O)OC(C)C |
| InChIKey | QYJMZNKHTMUIOX-UHFFFAOYSA-N |
Product Overview
Benzaldehyde, 2,4-bis(1-methylethoxy)- (CAS 96501-80-3), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 2,4-di(propan-2-yloxy)benzaldehyde.
Chemical Property Profile of Benzaldehyde, 2,4-bis(1-methylethoxy)-
Property Insights of Benzaldehyde, 2,4-bis(1-methylethoxy)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzaldehyde, 2,4-bis(1-methylethoxy)-. With a topological polar surface area (TPSA) of 35.5 Ų, Benzaldehyde, 2,4-bis(1-methylethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzaldehyde, 2,4-bis(1-methylethoxy)- has 0 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 Benzaldehyde, 2,4-bis(1-methylethoxy)-?
The CAS number of Benzaldehyde, 2,4-bis(1-methylethoxy)- is 96501-80-3.
What is the molecular formula of Benzaldehyde, 2,4-bis(1-methylethoxy)-?
The molecular formula of Benzaldehyde, 2,4-bis(1-methylethoxy)- is C13H18O3.
What is the molecular weight of Benzaldehyde, 2,4-bis(1-methylethoxy)-?
The molecular weight of Benzaldehyde, 2,4-bis(1-methylethoxy)- is 222.13 g/mol.
Where can I buy Benzaldehyde, 2,4-bis(1-methylethoxy)-?
You can request a quote for Benzaldehyde, 2,4-bis(1-methylethoxy)- 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-methylethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzaldehyde, 2,4-bis(1-methylethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.